Basic information
- CAS
89971-02-8- Standard SMILES
COc1ccc(OC)c(-c2cc(=O)c3c(O)cc(O)cc3o2)c1- InChIKey
QQYUQGPNZPVDTK-UHFFFAOYSA-N- Molecular formula
- C17H14O6
- Average molar mass
- 314.29 g/mol
- Monoisotopic mass
- 314.07903816
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 2-(2,5-dimethoxyphenyl)-5,7-dihydroxy-
- IUPAC
- 2-(2,5-dimethoxyphenyl)-5,7-dihydroxychromen-4-one
Names & synonyms
89971-02-82-(2,5-Dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 2-(2,5-dimethoxyphenyl)-5,7-dihydroxy-DTXSID00237955
Database identifiers
- CAS
89971-02-8- PubChem CID
- 5488151
- DTXSID
DTXSID00237955
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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