2-(3-chlorophenyl)cyclopentan-1-ol

• ChemBase ID: 275674
• Molecular Formular: C11H13ClO
• Molecular Mass: 196.67332
• Monoisotopic Mass: 196.06549272
• SMILES: c1(C2C(O)CCC2)cc(Cl)ccc1
• Canonical SMILES: OC1CCCC1c1cccc(c1)Cl
• InChI: InChI=1S/C11H13ClO/c12-9-4-1-3-8(7-9)10-5-2-6-11(10)13/h1,3-4,7,10-11,13H,2,5-6H2
• InChIKey: XBJWMSMUZCFGKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-chlorophenyl)cyclopentan-1-ol
• IUPAC Traditional name: 2-(3-chlorophenyl)cyclopentan-1-ol
• Synonyms: 2-(3-chlorophenyl)cyclopentan-1-ol

Database IDs

• MDL Number: MFCD16818430
• PubChem SID: 164331584
• PubChem CID: 53621882

CALCULATED PROPERTIES

• Acid pKa: 14.829412
• 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: 21.206247 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%