cyclohexyl(phenyl)methanol

• ChemBase ID: 86183
• Molecular Formular: C13H18O
• Molecular Mass: 190.28142
• Monoisotopic Mass: 190.1357652
• SMILES: OC(c1ccccc1)C1CCCCC1
• Canonical SMILES: OC(c1ccccc1)C1CCCCC1
• InChI: InChI=1S/C13H18O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12-14H,2,5-6,9-10H2
• InChIKey: QDYKZBKCLHBUHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexyl(phenyl)methanol
• IUPAC Traditional name: cyclohexyl(phenyl)methanol
• Synonyms: Cyclohexyl(phenyl)methanol

Database IDs

• MDL Number: MFCD00019357
• PubChem SID: 162073299
• PubChem CID: 95668

CALCULATED PROPERTIES

• Acid pKa: 14.227096
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.3799465
• LogD (pH = 7.4): 3.3799462
• Log P: 3.3799465
• Molar Refractivity: 58.2891 cm^3
• Polarizability: 23.131895 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant