4-(4-Hydroxyphenyl)-7-methoxy-3-phenyl-2H-1-benzopyran-2-one
Basic information
- CAS
33257-83-9- Standard SMILES
COc1ccc2c(-c3ccc(O)cc3)c(-c3ccccc3)c(=O)oc2c1- InChIKey
GCVBTSKNEVRIFZ-UHFFFAOYSA-N- Molecular formula
- C22H16O4
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.10485899
Names & identifiers
- Preferred name
- 4-(4-Hydroxyphenyl)-7-methoxy-3-phenyl-2H-1-benzopyran-2-one
- IUPAC
- 4-(4-hydroxyphenyl)-7-methoxy-3-phenylchromen-2-one
Names & synonyms
33257-83-94-(4-Hydroxyphenyl)-7-methoxy-3-phenyl-2H-chromen-2-oneNSC3806874-(4-hydroxyphenyl)-7-methoxy-3-phenyl-chromen-2-oneCHEMBL2413895DTXSID503217374-(4-Hydroxyphenyl)-7-methoxy-3-phenyl-2H-1-benzopyran-2-oneNSC-380687
Database identifiers
- CAS
33257-83-9- PubChem CID
- 342804
- DTXSID
DTXSID50321737- ChEMBL
CHEMBL2413895
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 540
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Compound notes
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