Basic information
- CAS
154185-53-2- Standard SMILES
COc1ccc(/C=C/C(=O)c2ccc3oc(-c4ccc(OC)c(OC)c4)cc(=O)c3c2)cc1OC- InChIKey
YPHCTCBEWMWYQO-WEVVVXLNSA-N- Molecular formula
- C28H24O7
- Average molar mass
- 472.5 g/mol
- Monoisotopic mass
- 472.1522031
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-6-(3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)-
- IUPAC
- 2-(3,4-dimethoxyphenyl)-6-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]chromen-4-one
Names & synonyms
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-6-(3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)-154185-53-2RefChem:10718432-(3,4-Dimethoxyphenyl)-6-(3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)-4H-1-benzopyran-4-one
Database identifiers
- CAS
154185-53-2- PubChem CID
- 6448845
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 805
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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