2-(4-fluorophenyl)cyclohexan-1-ol

• ChemBase ID: 274779
• Molecular Formular: C12H15FO
• Molecular Mass: 194.2453032
• Monoisotopic Mass: 194.11069332
• SMILES: C1(c2ccc(cc2)F)C(O)CCCC1
• Canonical SMILES: OC1CCCCC1c1ccc(cc1)F
• InChI: InChI=1S/C12H15FO/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h5-8,11-12,14H,1-4H2
• InChIKey: WOONSTDBFNVLTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)cyclohexan-1-ol
• IUPAC Traditional name: 2-(4-fluorophenyl)cyclohexan-1-ol
• Synonyms: 2-(4-fluorophenyl)cyclohexan-1-ol

Database IDs

• MDL Number: MFCD13180623
• PubChem SID: 164330689
• PubChem CID: 20487437

CALCULATED PROPERTIES

• Acid pKa: 14.849843
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9221723
• LogD (pH = 7.4): 2.922172
• Log P: 2.9221723
• Molar Refractivity: 54.0585 cm^3
• Polarizability: 20.840054 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 71 - 73°C
• Hydrophobicity(logP): 2.968

Product Information

• Purity: 95%