Basic information
- Standard SMILES
CC(=O)c1ccc(OCc2ccc(C(O)c3cccc(C(=O)O)c3)cc2)c(C)c1O- InChIKey
ARQSOBCCUCGWPI-UHFFFAOYSA-N- Molecular formula
- C24H22O6
- Average molar mass
- 406.4 g/mol
- Monoisotopic mass
- 406.14163842
Names & identifiers
- Preferred name
- 3-{[4-(4-Acetyl-3-hydroxy-2-methyl-phenoxymethyl)-phenyl]-hydroxy-methyl}-benzoic acid
- IUPAC
- 3-[[4-[(4-acetyl-3-hydroxy-2-methylphenoxy)methyl]phenyl]-hydroxymethyl]benzoic acid
Names & synonyms
SCHEMBL481173ARQSOBCCUCGWPI-UHFFFAOYSA-N3-{[4-(4-acetyl-3-hydroxy-2-methyl-phenoxymethyl)-phenyl]-hydroxy-methyl}-benzoic acid
Database identifiers
- PubChem CID
- 66699564
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 584
Related reactions
8 records
Compound notes
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