3-(2-Fluoro-5-methoxyphenyl)-2-methylbenzoic acid

HCID 53226504

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Basic information

CAS: 1261958-06-8
Standard SMILES: COc1ccc(F)c(-c2cccc(C(=O)O)c2C)c1
InChIKey: ZBJJDXMAOUNOME-UHFFFAOYSA-N
Molecular formula: C15H13FO3
Average molar mass: 260.26 g/mol
Monoisotopic mass: 260.08487243

Names & identifiers

Preferred name: 3-(2-Fluoro-5-methoxyphenyl)-2-methylbenzoic acid
IUPAC: 3-(2-fluoro-5-methoxyphenyl)-2-methylbenzoic acid

Names & synonyms

1261958-06-83-(2-FLUORO-5-METHOXYPHENYL)-2-METHYLBENZOIC ACIDDTXSID006901223-(2-Fluoro-5-methoxyphenyl)-2-methylbenzoic acid, 95%2'-Fluoro-5'-methoxy-2-methyl[1,1'-biphenyl]-3-carboxylic acid

Database identifiers

CAS: 1261958-06-8
PubChem CID: 53226504
DTXSID: DTXSID00690122

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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