cyclopentyl(phenyl)methanol

• ChemBase ID: 272656
• Molecular Formular: C12H16O
• Molecular Mass: 176.25484
• Monoisotopic Mass: 176.12011513
• SMILES: C(c1ccccc1)(C1CCCC1)O
• Canonical SMILES: OC(c1ccccc1)C1CCCC1
• InChI: InChI=1S/C12H16O/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2
• InChIKey: NHOWGKLPKLMKGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentyl(phenyl)methanol
• IUPAC Traditional name: cyclopentyl(phenyl)methanol
• Synonyms: cyclopentyl(phenyl)methanol

Database IDs

• MDL Number: MFCD00045419
• PubChem SID: 164328566
• PubChem CID: 316741

CALCULATED PROPERTIES

• Acid pKa: 14.227096
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9353778
• LogD (pH = 7.4): 2.9353776
• Log P: 2.9353778
• Molar Refractivity: 53.6881 cm^3
• Polarizability: 21.285538 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.975

Product Information

• Purity: 95%