4-phenylcyclohexan-1-ol

• ChemBase ID: 242539
• Molecular Formular: C12H16O
• Molecular Mass: 176.25484
• Monoisotopic Mass: 176.12011513
• SMILES: C1(c2ccccc2)CCC(CC1)O
• Canonical SMILES: OC1CCC(CC1)c1ccccc1
• InChI: InChI=1S/C12H16O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
• InChIKey: YVVUSIMLVPJXMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenylcyclohexan-1-ol
• IUPAC Traditional name: 4-phenylcyclohexan-1-ol
• Synonyms: 4-phenylcyclohexan-1-ol

Database IDs

• MDL Number: MFCD00013757
• PubChem SID: 164298449
• PubChem CID: 79497

CALCULATED PROPERTIES

• Acid pKa: 15.2600565
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7015166
• LogD (pH = 7.4): 2.7015166
• Log P: 2.7015166
• Molar Refractivity: 53.9191 cm^3
• Polarizability: 21.210705 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 117 - 119°C
• Hydrophobicity(logP): 2.675

Product Information

• Purity: 95%