(4-fluorophenyl)(1-methyl-1H-imidazol-2-yl)methanol

• ChemBase ID: 306516
• Molecular Formular: C11H11FN2O
• Molecular Mass: 206.2162432
• Monoisotopic Mass: 206.0855412
• SMILES: c1(n(ccn1)C)C(c1ccc(cc1)F)O
• Canonical SMILES: Fc1ccc(cc1)C(c1nccn1C)O
• InChI: InChI=1S/C11H11FN2O/c1-14-7-6-13-11(14)10(15)8-2-4-9(12)5-3-8/h2-7,10,15H,1H3
• InChIKey: KJCSIXINJKNLAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluorophenyl)(1-methyl-1H-imidazol-2-yl)methanol
• IUPAC Traditional name: (4-fluorophenyl)(1-methylimidazol-2-yl)methanol
• Synonyms: (4-fluorophenyl)(1-methyl-1H-imidazol-2-yl)methanol

Database IDs

• CAS Number: 122155-26-4
• MDL Number: MFCD03211779

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1498921
• LogD (pH = 7.4): 1.4570426
• Log P: 1.4633999
• Molar Refractivity: 54.6267 cm^3
• Polarizability: 20.628553 Å^3
• Polar Surface Area: 38.05 Å^2