3-Biphenylacetic acid, 4'-chloro-2-methoxy-

HCID 53807

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Basic information

CAS: 77894-09-8
Standard SMILES: COc1c(CC(=O)O)cccc1-c1ccc(Cl)cc1
InChIKey: JVGIKDMRIDPNHJ-UHFFFAOYSA-N
Molecular formula: C15H13ClO3
Average molar mass: 276.71 g/mol
Monoisotopic mass: 276.055322

Names & identifiers

Preferred name: 3-Biphenylacetic acid, 4'-chloro-2-methoxy-
IUPAC: 2-[3-(4-chlorophenyl)-2-methoxyphenyl]acetic acid
English name: 4'-Chloro-2-methoxy-
Molecular formula: C15H13ClO3
Molecular weight: 276.71492

Names & synonyms

BRN 50510443-BIPHENYLACETIC ACID, 4'-CHLORO-2-METHOXY-77894-09-84'-Chloro-2-methoxy-3-biphenylacetic acid4'-Chloro-2-methoxy-(1,1'-biphenyl)-3-acetic acid(1,1'-Biphenyl)-3-acetic acid, 4'-chloro-2-methoxy-DTXSID30228513RefChem:277093DTXCID80151004CHEMBL6864(4'-Chloro-2-methoxy[1,1'-biphenyl]-3-yl)acetic acid4'-Chloro-2-methoxy-

Database identifiers

CAS: 77894-09-8
PubChem CID: 53807
DTXSID: DTXSID30228513
ChEMBL: CHEMBL6864
Nikkaji: J78.983F

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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