Basic information
- Standard SMILES
CC(=O)c1ccc(OCc2ccc(Cc3cccc(C(=O)O)c3)cc2)c(C)c1O- InChIKey
MMEVBRJPXMZRPL-UHFFFAOYSA-N- Molecular formula
- C24H22O5
- Average molar mass
- 390.4 g/mol
Names & identifiers
- Preferred name
- 3-[4-(4-Acetyl-3-hydroxy-2-methyl-phenoxymethyl)-benzyl]-benzoic acid
- IUPAC
- 3-[[4-[(4-acetyl-3-hydroxy-2-methylphenoxy)methyl]phenyl]methyl]benzoic acid
Names & synonyms
SCHEMBL481209MMEVBRJPXMZRPL-UHFFFAOYSA-N3-[4-(4-acetyl-3-hydroxy-2-methyl-phenoxymethyl)-benzyl]-benzoic acid
Database identifiers
- PubChem CID
- 66699574
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 553
Related reactions
4 records
Compound notes
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