2-benzylcyclopentan-1-ol

• ChemBase ID: 282700
• Molecular Formular: C12H16O
• Molecular Mass: 176.25484
• Monoisotopic Mass: 176.12011513
• SMILES: C1(Cc2ccccc2)C(O)CCC1
• Canonical SMILES: OC1CCCC1Cc1ccccc1
• InChI: InChI=1S/C12H16O/c13-12-8-4-7-11(12)9-10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2
• InChIKey: OWWHRTUEIUFQKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzylcyclopentan-1-ol
• IUPAC Traditional name: 2-benzylcyclopentan-1-ol
• Synonyms: 2-benzylcyclopentan-1-ol

Database IDs

• MDL Number: MFCD16155204
• PubChem SID: 180668231
• PubChem CID: 12283988

CALCULATED PROPERTIES

• Acid pKa: 14.940093
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7794702
• LogD (pH = 7.4): 2.7794702
• Log P: 2.7794702
• Molar Refractivity: 53.8421 cm^3
• Polarizability: 21.211433 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.645

Product Information

• Purity: 95%