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

• ChemBase ID: 274691
• Molecular Formular: C12H15ClO
• Molecular Mass: 210.6999
• Monoisotopic Mass: 210.08114278
• SMILES: C1(c2ccc(cc2)Cl)C(O)CCCC1
• Canonical SMILES: OC1CCCCC1c1ccc(cc1)Cl
• InChI: InChI=1S/C12H15ClO/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h5-8,11-12,14H,1-4H2
• InChIKey: IJTCXAWGMMJYLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16818366
• PubChem SID: 164330601
• PubChem CID: 20490854

CALCULATED PROPERTIES

• Acid pKa: 14.839193
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.383515
• LogD (pH = 7.4): 3.383515
• Log P: 3.383515
• Molar Refractivity: 58.6469 cm^3
• Polarizability: 23.045044 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83 - 85°C
• Hydrophobicity(logP): 3.538

Product Information

• Purity: 95%