1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone
![1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone Structure](https://image.chemsrc.com/caspic/466/98569-63-2.png)
1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone structure
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Common Name | 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone | ||
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| CAS Number | 98569-63-2 | Molecular Weight | 404.41000 | |
| Density | 1.32g/cm3 | Boiling Point | 634.6ºC at 760 mmHg | |
| Molecular Formula | C21H24O8 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 221.4ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone |
|---|---|
| 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 | 1.32g/cm3 |
|---|---|
| Boiling Point | 634.6ºC at 760 mmHg |
| Molecular Formula | C21H24O8 |
| Molecular Weight | 404.41000 |
| Flash Point | 221.4ºC |
| Exact Mass | 404.14700 |
| PSA | 133.52000 |
| LogP | 3.13900 |
| Index of Refraction | 1.61 |
| InChIKey | JXSPGOIAWPYMGS-UHFFFAOYSA-N |
| SMILES | COc1c(C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c(C(C)=O)c(O)c(C)c1OC |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2914509090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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1-[3-[(3-acetyl... CAS#:98569-63-2 |
| Literature: McGookin et al. Journal of the Chemical Society, 1951 , p. 2021,2025 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
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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 | 2914509090 |
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| Summary | HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Antitumor promotor activity against mouse C3H10T1/2 cells assessed as inhibition of T...
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL1017520
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Name: Antitumor promotor activity against mouse C3H10T1/2 cells assessed as inhibition of T...
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL1017519
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Name: Antitumor promotor activity against mouse C3H10T1/2 cells assessed as inhibition of T...
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL1017521
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Name: Antimalarial activity against chloroquine/mefloquine-resistant Plasmodium falciparum ...
Source: ChEMBL
Target: Plasmodium falciparum
External Id: CHEMBL2341429
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Name: Cytotoxicity against mouse L5178Y cells
Source: ChEMBL
Target: L5178Y
External Id: CHEMBL1017331
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Name: Cytotoxicity against mouse L5178Y cells
Source: ChEMBL
Target: L5178Y
External Id: CHEMBL1033418
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Bis-(3-acetyl-2,4-dihydroxy-6-methoxy-5-methyl-phenyl)-methan |
| Mallotophenone |
| 5-Methylene-bis-2,6-dihydroxy-3-methyl-4-methoxyacetophenone |
| 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methyl-phenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methyl-phenyl]ethanone |
| bis-(3-acetyl-2,4-dihydroxy-6-methoxy-5-methyl-phenyl)-methane |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone? |
| A: Boiling point of 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone is 634.6ºC at 760 mmHg. |
| Q: What is the English name of 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone? |
| A: The English name of 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone is 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone. |
| Q: What is the CAS number of 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone? |
| A: CAS number of 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone is 98569-63-2. |
| Q: What is the LogP of 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone? |
| A: LogP of 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone is 3.13900. |
| Q: What is the polar surface area (PSA) of 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone? |
| A: Polar surface area (PSA) of 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone is 133.52000. |
| Q: What is the InChIKey of 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone? |
| A: InChIKey of 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone is JXSPGOIAWPYMGS-UHFFFAOYSA-N. |
| Q: What are the upstream materials of 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone? |
| A: Related upstream materials(CAS) of 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone: 50-00-0;69480-06-4. |
| Q: What is the molecular weight of 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone? |
| A: Molecular weight of 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone is 404.41000. |
| Q: What is the SMILES notation of 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone? |
| A: SMILES notation of 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone is COc1c(C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c(C(C)=O)c(O)c(C)c1OC. |
| Q: What is the Chinese name of 98569-63-2? |
| A: Chinese name of 98569-63-2 is 98569-63-2. |