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

• ChemBase ID: 274823
• Molecular Formular: C13H18O
• Molecular Mass: 190.28142
• Monoisotopic Mass: 190.1357652
• SMILES: C1(c2ccc(cc2)C)C(O)CCCC1
• Canonical SMILES: OC1CCCCC1c1ccc(cc1)C
• InChI: InChI=1S/C13H18O/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14/h6-9,12-14H,2-5H2,1H3
• InChIKey: RQYIVDKZUCZTSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07774755
• PubChem SID: 164330733
• PubChem CID: 2759985

CALCULATED PROPERTIES

• Acid pKa: 14.859137
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.2928917
• LogD (pH = 7.4): 3.2928917
• Log P: 3.2928917
• Molar Refractivity: 58.8833 cm^3
• Polarizability: 22.974783 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 72 - 74°C
• Hydrophobicity(logP): 3.324

Product Information

• Purity: 95%