3-(3,4-Dimethoxyphenyl)-4,7-dimethylchromen-2-one

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Basic information

CAS: 720673-99-4
Standard SMILES: COc1ccc(-c2c(C)c3ccc(C)cc3oc2=O)cc1OC
InChIKey: QLFHSSBCQHAJPZ-UHFFFAOYSA-N
Molecular formula: C19H18O4
Average molar mass: 310.3 g/mol
Monoisotopic mass: 310.12050905

Names & identifiers

Preferred name: 3-(3,4-Dimethoxyphenyl)-4,7-dimethylchromen-2-one
IUPAC: 3-(3,4-dimethoxyphenyl)-4,7-dimethylchromen-2-one

Names & synonyms

720673-99-43-(3',4'-Dimethoxyphenyl)-4,7-dimethylcoumarin3-(3,4-dimethoxyphenyl)-4,7-dimethylchromen-2-one3-(3,4-Dimethoxyphenyl)-4,7-dimethylcoumarinQLFHSSBCQHAJPZ-UHFFFAOYSA-NDTXSID701370657ST503088513(3',4'-Dimethoxyphenyl)-4,7-dimethylcoumarin2H-1-Benzopyran-2-one, 3-(3,4-dimethoxyphenyl)-4,7-dimethyl-

Database identifiers

CAS: 720673-99-4
PubChem CID: 688760
DTXSID: DTXSID701370657

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 44.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 484

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