1-cyclohexyl-2-phenylethan-1-ol

• ChemBase ID: 268818
• Molecular Formular: C14H20O
• Molecular Mass: 204.308
• Monoisotopic Mass: 204.15141526
• SMILES: C(Cc1ccccc1)(C1CCCCC1)O
• Canonical SMILES: OC(C1CCCCC1)Cc1ccccc1
• InChI: InChI=1S/C14H20O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1,3-4,7-8,13-15H,2,5-6,9-11H2
• InChIKey: JTENXEPPMDTPHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-2-phenylethan-1-ol
• IUPAC Traditional name: 1-cyclohexyl-2-phenylethanol
• Synonyms: 1-cyclohexyl-2-phenylethan-1-ol

Database IDs

• MDL Number: MFCD11935954
• PubChem SID: 164324728
• PubChem CID: 13107668

CALCULATED PROPERTIES

• Acid pKa: 14.839024
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.6686075
• LogD (pH = 7.4): 3.6686075
• Log P: 3.6686075
• Molar Refractivity: 63.0441 cm^3
• Polarizability: 24.902575 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.763

Product Information

• Purity: 95%