3-Hydroxy-6,3',4'-trimethoxyflavone
Basic information
- CAS
3518-24-9- Standard SMILES
COc1ccc2oc(-c3ccc(OC)c(OC)c3)c(O)c(=O)c2c1- InChIKey
GTTYINPAUAIFMI-UHFFFAOYSA-N- Molecular formula
- C18H16O6
- Average molar mass
- 328.3 g/mol
- Monoisotopic mass
- 328.09468823
Names & identifiers
- Preferred name
- 3-Hydroxy-6,3',4'-trimethoxyflavone
- IUPAC
- 2-(3,4-dimethoxyphenyl)-3-hydroxy-6-methoxychromen-4-one
Names & synonyms
3-HYDROXY-6,3',4'-TRIMETHOXYFLAVONE3518-24-92-(3,4-dimethoxyphenyl)-3-hydroxy-6-methoxychromen-4-oneSCHEMBL4648874CHEMBL4060112GTTYINPAUAIFMI-UHFFFAOYSA-NDTXSID401372335AKOS024282451DA-28519ST0562504H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3-hydroxy-6-methoxy-
Database identifiers
- CAS
3518-24-9- PubChem CID
- 688730
- DTXSID
DTXSID401372335- ChEMBL
CHEMBL4060112- Nikkaji
- J2.800.998D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 502
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Compound notes
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