3-Biphenylacetic acid, 5-chloro-4'-methoxy-

HCID 53377

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Basic information

CAS: 75852-52-7
Standard SMILES: COc1ccc(-c2cc(Cl)cc(CC(=O)O)c2)cc1
InChIKey: GGDOTGBOIHPILT-UHFFFAOYSA-N
Molecular formula: C15H13ClO3
Average molar mass: 276.71 g/mol
Monoisotopic mass: 276.055322

Names & identifiers

Preferred name: 3-Biphenylacetic acid, 5-chloro-4'-methoxy-
IUPAC: 2-[3-chloro-5-(4-methoxyphenyl)phenyl]acetic acid
English name: 5-Chloro-4'-methoxy-3-biphenylacetic acid
Molecular formula: C15H13ClO3
Molecular weight: 276.71

Names & synonyms

75852-52-7BRN 50420093-BIPHENYLACETIC ACID, 5-CHLORO-4'-METHOXY-5-Chloro-4'-methoxy-3-biphenylacetic acidDTXSID30226756RefChem:277113DTXCID60149247CHEMBL142394(5-Chloro-4'-methoxy[1,1'-biphenyl]-3-yl)acetic acid[1,1'-Biphenyl]-3-acetic acid, 5-chloro-4'-methoxy-

Database identifiers

CAS: 75852-52-7
PubChem CID: 53377
DTXSID: DTXSID30226756
ChEMBL: CHEMBL142394
Nikkaji: J78.986K

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 300

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