2-(3,4-Dihydroxyphenyl)-3,5,7-trimethoxychromen-4-one
Basic information
- CAS
121093-27-4- Standard SMILES
COc1cc(OC)c2c(=O)c(OC)c(-c3ccc(O)c(O)c3)oc2c1- InChIKey
JUIYFXAMKWGUJQ-UHFFFAOYSA-N- Molecular formula
- C18H16O7
- Average molar mass
- 344.3 g/mol
- Monoisotopic mass
- 344.08960285
Names & identifiers
- Preferred name
- 2-(3,4-Dihydroxyphenyl)-3,5,7-trimethoxychromen-4-one
- IUPAC
- 2-(3,4-dihydroxyphenyl)-3,5,7-trimethoxychromen-4-one
Names & synonyms
121093-27-4Chromen-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trimethoxy-2-(3,4-Dihydroxyphenyl)-3,5,7-trimethoxychromen-4-oneQuercetin trimethyl etherSCHEMBL15635393DTXSID801531492-(3,4-Dihydroxyphenyl)-3,5,7-trimethoxy-4H-1-benzopyran-4-one
Database identifiers
- CAS
121093-27-4、7622-61-9- PubChem CID
- 147651
- DTXSID
DTXSID80153149- Nikkaji
- J1.043.208A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 532
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Compound notes
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