3-(3,4-Dimethoxyphenyl)-8-methoxy-1H-2-benzopyran-1-one
Basic information
- CAS
147666-84-0- Standard SMILES
COc1ccc(-c2cc3cccc(OC)c3c(=O)o2)cc1OC- InChIKey
GHTACAVDDFVAHW-UHFFFAOYSA-N- Molecular formula
- C18H16O5
- Average molar mass
- 312.3 g/mol
- Monoisotopic mass
- 312.09977361
Names & identifiers
- Preferred name
- 3-(3,4-Dimethoxyphenyl)-8-methoxy-1H-2-benzopyran-1-one
- IUPAC
- 3-(3,4-dimethoxyphenyl)-8-methoxyisochromen-1-one
Names & synonyms
147666-84-03-(3,4-Dimethoxyphenyl)-8-methoxy-1H-2-benzopyran-1-oneDTXSID60328116RefChem:274022DTXCID702792263-(3,4-dimethoxyphenyl)-8-methoxy-1h-isochromen-1-oneNSC724387NSC-7243873-(3,4-dimethoxyphenyl)-8-methoxyisocoumarin
Database identifiers
- CAS
147666-84-0- PubChem CID
- 406328
- DTXSID
DTXSID60328116- Nikkaji
- J628.854E
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 460
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Compound notes
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