2-[(3-chlorophenyl)methyl]cyclopentan-1-ol

• ChemBase ID: 245542
• Molecular Formular: C12H15ClO
• Molecular Mass: 210.6999
• Monoisotopic Mass: 210.08114278
• SMILES: C1(Cc2cc(Cl)ccc2)C(O)CCC1
• Canonical SMILES: OC1CCCC1Cc1cccc(c1)Cl
• InChI: InChI=1S/C12H15ClO/c13-11-5-1-3-9(8-11)7-10-4-2-6-12(10)14/h1,3,5,8,10,12,14H,2,4,6-7H2
• InChIKey: YODOSUXIFIKCCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16091440
• PubChem SID: 164301452
• PubChem CID: 61749543

CALCULATED PROPERTIES

• Acid pKa: 14.940092
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.383515
• LogD (pH = 7.4): 3.383515
• Log P: 3.383515
• Molar Refractivity: 58.6469 cm^3
• Polarizability: 23.049248 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.358

Product Information

• Purity: 95%