(4-cyclohexylphenyl)methanol

• ChemBase ID: 238712
• Molecular Formular: C13H18O
• Molecular Mass: 190.28142
• Monoisotopic Mass: 190.1357652
• SMILES: c1(ccc(cc1)CO)C1CCCCC1
• Canonical SMILES: OCc1ccc(cc1)C1CCCCC1
• InChI: InChI=1S/C13H18O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h6-9,12,14H,1-5,10H2
• InChIKey: SMHACOFUYOUOBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-cyclohexylphenyl)methanol
• IUPAC Traditional name: (4-cyclohexylphenyl)methanol
• Synonyms: (4-cyclohexylphenyl)methanol

Database IDs

• MDL Number: MFCD01657472
• PubChem SID: 164294622
• PubChem CID: 22492024

CALCULATED PROPERTIES

• Acid pKa: 15.046736
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.3208852
• LogD (pH = 7.4): 3.3208852
• Log P: 3.3208852
• Molar Refractivity: 59.0655 cm^3
• Polarizability: 23.050053 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.724

Product Information

• Purity: 95%