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Basic information
- Standard SMILES
O=C(O)c1ccc(Cc2ccccc2OCc2ccccc2)cc1- InChIKey
ABKWCMOFSXXBSL-UHFFFAOYSA-N- Molecular formula
- C21H18O3
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.12559443
Names & identifiers
- Preferred name
- 4-(2-Benzyloxybenzyl)benzoic acid
- IUPAC
- 4-[(2-phenylmethoxyphenyl)methyl]benzoic acid
Names & synonyms
SCHEMBL4000214ABKWCMOFSXXBSL-UHFFFAOYSA-N4-(2-benzyloxybenzyl)benzoic acid
Database identifiers
- PubChem CID
- 17858675
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 381
Related reactions
5 records
Compound notes
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