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

• ChemBase ID: 275045
• Molecular Formular: C11H13ClO
• Molecular Mass: 196.67332
• Monoisotopic Mass: 196.06549272
• SMILES: c1(C2C(O)CCC2)c(Cl)cccc1
• Canonical SMILES: OC1CCCC1c1ccccc1Cl
• InChI: InChI=1S/C11H13ClO/c12-10-6-2-1-4-8(10)9-5-3-7-11(9)13/h1-2,4,6,9,11,13H,3,5,7H2
• InChIKey: HSRWXLKBFCBATF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16818426
• PubChem SID: 164330955
• PubChem CID: 54593497

CALCULATED PROPERTIES

• LogD (pH = 7.4): 2.9389462
• Log P: 2.9389462
• Molar Refractivity: 54.0459 cm^3
• Polarizability: 21.208065 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 14.786903
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9389462

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.979

Product Information

• Purity: 95%