Basic information
- CAS
61888-62-8- Standard SMILES
CCCCOc1cc(CC(=O)O)cc(-c2ccc(Cl)cc2)c1- InChIKey
CGHZWNKMFFEFGG-UHFFFAOYSA-N- Molecular formula
- C18H19ClO3
- Average molar mass
- 318.8 g/mol
- Monoisotopic mass
- 318.1022722
Names & identifiers
- Preferred name
- 3-Biphenylacetic acid, 5-butoxy-4'-chloro-
- IUPAC
- 2-[3-butoxy-5-(4-chlorophenyl)phenyl]acetic acid
- English name
- 5-Butoxy-4'-chloro-3-biphenylacetic acid
- Molecular formula
- C18H19ClO3
- Molecular weight
- 318.79
Names & synonyms
61888-62-8BRN 21407395-Butoxy-4'-chloro-3-biphenylacetic acid3-BIPHENYLACETIC ACID, 5-BUTOXY-4'-CHLORO-DTXSID20210886RefChem:277112DTXCID50133377CHEMBL3244538DB-317557(5-Butoxy-4'-chloro[1,1'-biphenyl]-3-yl)acetic acid5-Butoxy-4'-chloro-1,1'-biphenyl-3-acetic acid[1,1'-Biphenyl]-3-acetic acid, 5-butoxy-4'-chloro-
Database identifiers
- CAS
61888-62-8- PubChem CID
- 43839
- DTXSID
DTXSID20210886- ChEMBL
CHEMBL3244538- Nikkaji
- J78.970D
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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