Methyl 6-hydroxy-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxylate

HCID 134635679

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Basic information

CAS: 1261855-31-5
Standard SMILES: COC(=O)c1ccc(O)c(-c2ccc(OC(F)(F)F)cc2)c1
InChIKey: WEWOMEQTUMFRDZ-UHFFFAOYSA-N
Molecular formula: C15H11F3O4
Average molar mass: 312.24 g/mol
Monoisotopic mass: 312.06094331

Names & identifiers

Preferred name: Methyl 6-hydroxy-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxylate
IUPAC: methyl 4-hydroxy-3-[4-(trifluoromethoxy)phenyl]benzoate

Names & synonyms

1261855-31-5Methyl 6-hydroxy-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxylatemethyl 4-hydroxy-3-[4-(trifluoromethoxy)phenyl]benzoate[1,1'-Biphenyl]-3-carboxylic acid, 6-hydroxy-4'-(trifluoromethoxy)-, methyl esterDTXSID401133448MFCD18408177A1-28414Methyl 6-hydroxy-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxylate[1,1a(2)-Biphenyl]-3-carboxylic acid, 6-hydroxy-4a(2)-(trifluoromethoxy)-, methyl ester

Database identifiers

CAS: 1261855-31-5
PubChem CID: 134635679
DTXSID: DTXSID401133448

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 377

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