Basic information
- Standard SMILES
COc1ccc(C(Cc2ccc(Br)cc2)C(=O)O)cc1- InChIKey
BBDROIWQCDVHJH-UHFFFAOYSA-N- Molecular formula
- C16H15BrO3
- Average molar mass
- 335.19 g/mol
Names & identifiers
- Preferred name
- 3-(4-Bromophenyl)-2-(4-methoxyphenyl)propanoic acid
- IUPAC
- 3-(4-bromophenyl)-2-(4-methoxyphenyl)propanoic acid
Names & synonyms
SCHEMBL1153337BBDROIWQCDVHJH-UHFFFAOYSA-N3-(4-bromophenyl)-2-(4-methoxyphenyl)propanoic acid
Database identifiers
- PubChem CID
- 66923604
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 305
Related reactions
1 records
Compound notes
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