Basic information
- CAS
75852-58-3- Standard SMILES
COc1ccc(-c2cc(Cl)cc(C(C)C(=O)O)c2)cc1- InChIKey
JMJLCNQUCCNTSN-UHFFFAOYSA-N- Molecular formula
- C16H15ClO3
- Average molar mass
- 290.74 g/mol
- Monoisotopic mass
- 290.070972
Names & identifiers
- Preferred name
- 3-Biphenylacetic acid, 5-chloro-4'-methoxy-alpha-methyl-
- IUPAC
- 2-[3-chloro-5-(4-methoxyphenyl)phenyl]propanoic acid
- English name
- 5-Chloro-4'-methoxy-alpha-methyl-3-biphenylacetic acid
- Molecular weight
- 0
Names & synonyms
75852-58-3BRN 50551485-Chloro-4'-methoxy-alpha-methyl-3-biphenylacetic acid3-BIPHENYLACETIC ACID, 5-CHLORO-4'-METHOXY-alpha-METHYL-RefChem:277114CHEMBL143391DTXSID909972382-(5-Chloro-4'-methoxy[1,1'-biphenyl]-3-yl)propanoic acid
Database identifiers
- CAS
75852-58-3- PubChem CID
- 53383
- DTXSID
DTXSID90997238- ChEMBL
CHEMBL143391- Nikkaji
- J78.990I
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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