4H-1-Benzopyran-4-one, 3-[(3,4-dimethoxyphenyl)methyl]-
Basic information
- CAS
89367-09-9- Standard SMILES
COc1ccc(Cc2coc3ccccc3c2=O)cc1OC- InChIKey
WHMBWOUGVNZHCX-UHFFFAOYSA-N- Molecular formula
- C18H16O4
- Average molar mass
- 296.3 g/mol
- Monoisotopic mass
- 296.10485899
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 3-[(3,4-dimethoxyphenyl)methyl]-
- IUPAC
- 3-[(3,4-dimethoxyphenyl)methyl]chromen-4-one
Names & synonyms
89367-09-93-(3,4-dimethoxybenzyl)-4H-chromen-4-one3-[(3,4-dimethoxyphenyl)methyl]-4H-chromen-4-one4H-1-Benzopyran-4-one, 3-[(3,4-dimethoxyphenyl)methyl]-NSC609800CHEMBL1986589DTXSID40326695NSC-6098003-[(3,4-Dimethoxyphenyl)methyl]-4H-1-benzopyran-4-one
Database identifiers
- CAS
89367-09-9- PubChem CID
- 355691
- DTXSID
DTXSID40326695- ChEMBL
CHEMBL1986589- Nikkaji
- J534.793I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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