Basic information
- Standard SMILES
O=C(O)c1ccc(CCCc2ccc(Br)cc2OCc2ccccc2)cc1- InChIKey
NTHZYCRTCBJFGA-UHFFFAOYSA-N- Molecular formula
- C23H21BrO3
- Average molar mass
- 425.3 g/mol
- Monoisotopic mass
- 424.06741
Names & identifiers
- Preferred name
- 4-[3-(2-Benzyloxy-4-bromophenyl)propyl]benzoic acid
- IUPAC
- 4-[3-(4-bromo-2-phenylmethoxyphenyl)propyl]benzoic acid
Names & synonyms
SCHEMBL8319623NTHZYCRTCBJFGA-UHFFFAOYSA-N4-[3-(2-Benzyloxy-4-bromophenyl)propyl]benzoic acid
Database identifiers
- PubChem CID
- 18974103
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 441
Related reactions
2 records
Compound notes
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