2-(2-Fluoro-5-methoxyphenyl)-6-methylbenzoic acid

HCID 53226502

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Basic information

CAS: 1261907-03-2
Standard SMILES: COc1ccc(F)c(-c2cccc(C)c2C(=O)O)c1
InChIKey: DRQJREHGFXVXCU-UHFFFAOYSA-N
Molecular formula: C15H13FO3
Average molar mass: 260.26 g/mol
Monoisotopic mass: 260.08487243

Names & identifiers

Preferred name: 2-(2-Fluoro-5-methoxyphenyl)-6-methylbenzoic acid
IUPAC: 2-(2-fluoro-5-methoxyphenyl)-6-methylbenzoic acid

Names & synonyms

1261907-03-22-(2-FLUORO-5-METHOXYPHENYL)-6-METHYLBENZOIC ACIDMFCD18320601DTXSID806901202-(2-fluoro-5-methoxy-phenyl)-6-methyl-benzoic acid2-(2-Fluoro-5-methoxyphenyl)-6-methylbenzoic acid, 95%2'-Fluoro-5'-methoxy-3-methyl[1,1'-biphenyl]-2-carboxylic acid

Database identifiers

CAS: 1261907-03-2
PubChem CID: 53226502
DTXSID: DTXSID80690120

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 321

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