(S)-(2-fluorophenyl)(phenyl)methanol

• ChemBase ID: 93367
• Molecular Formular: C13H11FO
• Molecular Mass: 202.2242432
• Monoisotopic Mass: 202.07939319
• SMILES: O[C@H](c1ccccc1F)c1ccccc1
• Canonical SMILES: Fc1ccccc1[C@H](c1ccccc1)O
• InChI: InChI=1S/C13H11FO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,13,15H/t13-/m0/s1
• InChIKey: HFVMEOPYDLEHBR-ZDUSSCGKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (S)-(2-fluorophenyl)(phenyl)methanol
• IUPAC Traditional name: (S)-(2-fluorophenyl)(phenyl)methanol
• Synonyms: (1S)-(2-Fluorophenyl)(phenyl)methanol

Database IDs

• CAS Number: 146324-43-8
• MDL Number: MFCD03788499
• PubChem SID: 162080052
• PubChem CID: 11571980

CALCULATED PROPERTIES

• Acid pKa: 13.400259
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1328382
• LogD (pH = 7.4): 3.1328378
• Log P: 3.1328382
• Molar Refractivity: 57.3731 cm^3
• Polarizability: 22.01835 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant