2-(4-chlorophenyl)cyclopentan-1-ol

• ChemBase ID: 274783
• Molecular Formular: C11H13ClO
• Molecular Mass: 196.67332
• Monoisotopic Mass: 196.06549272
• SMILES: C1(c2ccc(cc2)Cl)C(O)CCC1
• Canonical SMILES: OC1CCCC1c1ccc(cc1)Cl
• InChI: InChI=1S/C11H13ClO/c12-9-6-4-8(5-7-9)10-2-1-3-11(10)13/h4-7,10-11,13H,1-3H2
• InChIKey: ARYRPLFQFILOCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)cyclopentan-1-ol
• IUPAC Traditional name: 2-(4-chlorophenyl)cyclopentan-1-ol
• Synonyms: 2-(4-chlorophenyl)cyclopentan-1-ol

Database IDs

• MDL Number: MFCD00456852
• PubChem SID: 164330693
• PubChem CID: 53621542

CALCULATED PROPERTIES

• Acid pKa: 14.839161
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9389462
• LogD (pH = 7.4): 2.9389462
• Log P: 2.9389462
• Molar Refractivity: 54.0459 cm^3
• Polarizability: 21.204233 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.979

Product Information

• Purity: 95%