Basic information
- Standard SMILES
O=C(O)c1ccc(C=CC(=O)c2c(O)cccc2OCc2ccccc2)cc1- InChIKey
XKCPQUHLOUJTTQ-UHFFFAOYSA-N- Molecular formula
- C23H18O5
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 374.11542367
Names & identifiers
- Preferred name
- 2'-Benzyloxy-4-carboxy-6'-hydroxychalcone
- IUPAC
- 4-[3-(2-hydroxy-6-phenylmethoxyphenyl)-3-oxoprop-1-enyl]benzoic acid
Names & synonyms
SCHEMBL1728522XKCPQUHLOUJTTQ-UHFFFAOYSA-N2'-benzyloxy-4-carboxy-6'-hydroxychalcone
Database identifiers
- PubChem CID
- 67136457
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 543
Related reactions
1 records
Compound notes
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