(3-fluorophenyl)(phenyl)methanol

• ChemBase ID: 267412
• Molecular Formular: C13H11FO
• Molecular Mass: 202.2242432
• Monoisotopic Mass: 202.07939319
• SMILES: c1(C(c2ccccc2)O)cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)C(c1ccccc1)O
• InChI: InChI=1S/C13H11FO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9,13,15H
• InChIKey: ILYUNJUNPZKDOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-fluorophenyl)(phenyl)methanol
• IUPAC Traditional name: (3-fluorophenyl)(phenyl)methanol
• Synonyms: (3-fluorophenyl)(phenyl)methanol

Database IDs

• MDL Number: MFCD06201260
• PubChem SID: 164323322
• PubChem CID: 570756

CALCULATED PROPERTIES

• Acid pKa: 13.629851
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1328382
• LogD (pH = 7.4): 3.132838
• Log P: 3.1328382
• Molar Refractivity: 57.3731 cm^3
• Polarizability: 22.018572 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.595

Product Information

• Purity: 95%