4H-1-benzopyran-4-one, 6-methoxy-2-(2,3,4-trimethoxyphenyl)-
Basic information
- CAS
129178-59-2- Standard SMILES
COc1ccc2oc(-c3ccc(OC)c(OC)c3OC)cc(=O)c2c1- InChIKey
JKOSEVFRYVUMCD-UHFFFAOYSA-N- Molecular formula
- C19H18O6
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.11033829
Names & identifiers
- Preferred name
- 4H-1-benzopyran-4-one, 6-methoxy-2-(2,3,4-trimethoxyphenyl)-
- IUPAC
- 6-methoxy-2-(2,3,4-trimethoxyphenyl)chromen-4-one
Names & synonyms
129178-59-26-Methoxy-2-(2,3,4-trimethoxyphenyl)-4H-chromen-4-one4H-1-benzopyran-4-one, 6-methoxy-2-(2,3,4-trimethoxyphenyl)-NSC649085Flavonid, 6[4,3]CHEMBL74543BDBM93449DTXSID603273616,2',3',4'-tetramethoxyflavoneNSC-649085NCI60_0171026-Methoxy-2-(2,3,4-trimethoxyphenyl)-4H-1-benzopyran-4-one
Database identifiers
- CAS
129178-59-2- PubChem CID
- 373142
- DTXSID
DTXSID60327361- ChEMBL
CHEMBL74543
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 504
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Compound notes
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