2-cyclohexyl-1-{4-[4-(trifluoromethyl)phenyl]phenyl}ethan-1-ol

• ChemBase ID: 796236
• Molecular Formular: C21H23F3O
• Molecular Mass: 348.4019296
• Monoisotopic Mass: 348.17010002
• SMILES: C(CC1CCCCC1)(O)c1ccc(cc1)c1ccc(cc1)C(F)(F)F
• Canonical SMILES: OC(c1ccc(cc1)c1ccc(cc1)C(F)(F)F)CC1CCCCC1
• InChI: InChI=1S/C21H23F3O/c22-21(23,24)19-12-10-17(11-13-19)16-6-8-18(9-7-16)20(25)14-15-4-2-1-3-5-15/h6-13,15,20,25H,1-5,14H2
• InChIKey: LJCMRIPHWNZESN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexyl-1-{4-[4-(trifluoromethyl)phenyl]phenyl}ethan-1-ol
• IUPAC Traditional name: 2-cyclohexyl-1-{4-[4-(trifluoromethyl)phenyl]phenyl}ethanol
• Synonyms: 2-cyclohexyl-1-(4'-(trifluoromethyl)biphenyl-4-yl)ethanol

Database IDs

• CAS Number: 871250-38-3

CALCULATED PROPERTIES

• Acid pKa: 14.458105
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.271635
• LogD (pH = 7.4): 6.271635
• Log P: 6.271635
• Molar Refractivity: 94.077 cm^3
• Polarizability: 36.77619 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%