Benzoic acid,4-(3-phenylpropyl)
Benzoic acid,4-(3-phenylpropyl) structure
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Common Name | Benzoic acid,4-(3-phenylpropyl) | ||
|---|---|---|---|---|
| CAS Number | 6337-66-2 | Molecular Weight | 240.29700 | |
| Density | 1.133g/cm3 | Boiling Point | 392.5ºC at 760mmHg | |
| Molecular Formula | C16H16O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 183.4ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-(3-phenylpropyl)benzoic acid |
|---|---|
| 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 | 1.133g/cm3 |
|---|---|
| Boiling Point | 392.5ºC at 760mmHg |
| Molecular Formula | C16H16O2 |
| Molecular Weight | 240.29700 |
| Flash Point | 183.4ºC |
| Exact Mass | 240.11500 |
| PSA | 37.30000 |
| LogP | 3.56010 |
| Index of Refraction | 1.593 |
| InChIKey | LUCNGOVVTMVUGW-UHFFFAOYSA-N |
| SMILES | O=C(O)c1ccc(CCCc2ccccc2)cc1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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Benzoic acid,4-... CAS#:6337-66-2 |
| Literature: Allinger; Cram Journal of the American Chemical Society, 1954 , vol. 76, p. 2362,2367 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 1 | |
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| DownStream 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: qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
Source: NCGC
Target: apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id: AMA1100
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| hms3080f11 |
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-(3-phenylpropyl)benzoic acid? |
| A: Molecular weight of 4-(3-phenylpropyl)benzoic acid is 240.29700. |
| Q: What are the upstream materials of 4-(3-phenylpropyl)benzoic acid? |
| A: Related upstream materials(CAS) of 4-(3-phenylpropyl)benzoic acid: 1081-75-0. |
| Q: What is the boiling point of 4-(3-phenylpropyl)benzoic acid? |
| A: Boiling point of 4-(3-phenylpropyl)benzoic acid is 392.5ºC at 760mmHg. |
| Q: What English synonyms does 4-(3-phenylpropyl)benzoic acid have? |
| A: English synonyms of 4-(3-phenylpropyl)benzoic acid: hms3080f11. |
| Q: What is the SMILES notation of 4-(3-phenylpropyl)benzoic acid? |
| A: SMILES notation of 4-(3-phenylpropyl)benzoic acid is O=C(O)c1ccc(CCCc2ccccc2)cc1. |
| Q: What is the molecular formula of 4-(3-phenylpropyl)benzoic acid? |
| A: Molecular formula of 4-(3-phenylpropyl)benzoic acid is C16H16O2. |
| Q: What is the CAS number of 4-(3-phenylpropyl)benzoic acid? |
| A: CAS number of 4-(3-phenylpropyl)benzoic acid is 6337-66-2. |
| Q: What is the polar surface area (PSA) of 4-(3-phenylpropyl)benzoic acid? |
| A: Polar surface area (PSA) of 4-(3-phenylpropyl)benzoic acid is 37.30000. |
| Q: What is the English name of 4-(3-phenylpropyl)benzoic acid? |
| A: The English name of 4-(3-phenylpropyl)benzoic acid is 4-(3-phenylpropyl)benzoic acid. |
| Q: What is the InChIKey of 4-(3-phenylpropyl)benzoic acid? |
| A: InChIKey of 4-(3-phenylpropyl)benzoic acid is LUCNGOVVTMVUGW-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |