4-methoxy-6-methyl-6-phenyl-5H-pyran-2-one
4-methoxy-6-methyl-6-phenyl-5H-pyran-2-one structure
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Common Name | 4-methoxy-6-methyl-6-phenyl-5H-pyran-2-one | ||
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| CAS Number | 18381-99-2 | Molecular Weight | 218.24800 | |
| Density | 1.15g/cm3 | Boiling Point | 379.6ºC at 760mmHg | |
| Molecular Formula | C13H14O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 159.5ºC | |
Summary: 4-Methoxy-2-methyl-2-phenyl-3H-pyran-6-one (Chinese name: 4-甲氧基-2-甲基-2-苯基-3H-吡喃-6-酮, CAS number: 18381-99-2, molecular formula: C13H14O3, molecular weight: 218.24800), for research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-methoxy-2-methyl-2-phenyl-3H-pyran-6-one |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.15g/cm3 |
|---|---|
| Boiling Point | 379.6ºC at 760mmHg |
| Molecular Formula | C13H14O3 |
| Molecular Weight | 218.24800 |
| Flash Point | 159.5ºC |
| Exact Mass | 218.09400 |
| PSA | 35.53000 |
| LogP | 2.37900 |
| Vapour Pressure | 5.78E-06mmHg at 25°C |
| Index of Refraction | 1.55 |
| InChIKey | AQXPHIBTEWIJBS-UHFFFAOYSA-N |
| SMILES | COC1=CC(=O)OC(C)(c2ccccc2)C1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2932999099 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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4-methoxy-6-met... CAS#:18381-99-2 |
| Literature: Midland, M. Mark; Graham, Richard S. Journal of the American Chemical Society, 1984 , vol. 106, # 15 p. 4294 - 4296 |
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4-methoxy-6-met... CAS#:18381-99-2 |
| Literature: Midland, M. Mark; Graham, Richard S. Journal of the American Chemical Society, 1984 , vol. 106, # 15 p. 4294 - 4296 |
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~24%
4-methoxy-6-met... CAS#:18381-99-2 |
| Literature: Pierres, Camille; George, Pascal; Van Hijfte, Luc; Ducep, Jean-Bernard; Hibert, Marcel; Mann, Andre Tetrahedron Letters, 2003 , vol. 44, # 18 p. 3645 - 3647 |
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4-methoxy-6-met... CAS#:18381-99-2 |
| Literature: Ayoub, Mikdad T.; Shandala, Mowafak Y.; Bashi, Galia M. Gussba; Pelter, Andrew Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1981 , p. 697 - 699 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
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| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2932999099 |
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| Summary | 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
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Name: Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
Source: Broad Institute
Target: N/A
External Id: 2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: High throughput screen for small molecule inhibitors of a hypoxia-regulated fluoresce...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1149-MLP
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Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-METHOXY-6-METHYL-6-PHENYL-5H-PYRAN-2-ONE |
| 4-methoxy-6-methyl-6-phenyl-5,6-dihydro-2h-pyran-2-one |
| HMS3085K11 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of 4-methoxy-2-methyl-2-phenyl-3H-pyran-6-one? |
| A: Molecular weight of 4-methoxy-2-methyl-2-phenyl-3H-pyran-6-one is 218.24800. |
| Q: What is the molecular formula of 4-methoxy-2-methyl-2-phenyl-3H-pyran-6-one? |
| A: Molecular formula of 4-methoxy-2-methyl-2-phenyl-3H-pyran-6-one is C13H14O3. |
| Q: What is the CAS number of 4-methoxy-2-methyl-2-phenyl-3H-pyran-6-one? |
| A: CAS number of 4-methoxy-2-methyl-2-phenyl-3H-pyran-6-one is 18381-99-2. |
| Q: What is the InChIKey of 4-methoxy-2-methyl-2-phenyl-3H-pyran-6-one? |
| A: InChIKey of 4-methoxy-2-methyl-2-phenyl-3H-pyran-6-one is AQXPHIBTEWIJBS-UHFFFAOYSA-N. |
| Q: What is the LogP of 4-methoxy-2-methyl-2-phenyl-3H-pyran-6-one? |
| A: LogP of 4-methoxy-2-methyl-2-phenyl-3H-pyran-6-one is 2.37900. |
| Q: What English synonyms does 4-methoxy-2-methyl-2-phenyl-3H-pyran-6-one have? |
| A: English synonyms of 4-methoxy-2-methyl-2-phenyl-3H-pyran-6-one: 4-METHOXY-6-METHYL-6-PHENYL-5H-PYRAN-2-ONE, 4-methoxy-6-methyl-6-phenyl-5,6-dihydro-2h-pyran-2-one, HMS3085K11. |
| Q: What is the SMILES notation of 4-methoxy-2-methyl-2-phenyl-3H-pyran-6-one? |
| A: SMILES notation of 4-methoxy-2-methyl-2-phenyl-3H-pyran-6-one is COC1=CC(=O)OC(C)(c2ccccc2)C1. |
| Q: What is the polar surface area (PSA) of 4-methoxy-2-methyl-2-phenyl-3H-pyran-6-one? |
| A: Polar surface area (PSA) of 4-methoxy-2-methyl-2-phenyl-3H-pyran-6-one is 35.53000. |
| Q: What is the English name of 4-methoxy-2-methyl-2-phenyl-3H-pyran-6-one? |
| A: The English name of 4-methoxy-2-methyl-2-phenyl-3H-pyran-6-one is 4-methoxy-2-methyl-2-phenyl-3H-pyran-6-one. |
| Q: What is the Chinese name of 18381-99-2? |
| A: Chinese name of 18381-99-2 is 18381-99-2. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |