2-(2,3-Dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
Basic information
- CAS
89971-01-7- Standard SMILES
COc1cccc(-c2cc(=O)c3c(O)cc(O)cc3o2)c1OC- InChIKey
XFPZNWPCVJNOKC-UHFFFAOYSA-N- Molecular formula
- C17H14O6
- Average molar mass
- 314.29 g/mol
- Monoisotopic mass
- 314.07903816
Names & identifiers
- Preferred name
- 2-(2,3-Dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
- IUPAC
- 2-(2,3-dimethoxyphenyl)-5,7-dihydroxychromen-4-one
- English name
- 2-(2,3-Dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
- Molecular weight
- 0
Names & synonyms
89971-01-72-(2,3-Dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-oneCHEMBL37804012-(2,3-dimethoxyphenyl)-5,7-dihydroxy-4H-chromen-4-one4H-1-Benzopyran-4-one, 2-(2,3-dimethoxyphenyl)-5,7-dihydroxy-DTXSID40237954BDBM50152962
Database identifiers
- CAS
89971-01-7- PubChem CID
- 5488150
- DTXSID
DTXSID40237954- ChEMBL
CHEMBL3780401
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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