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

• ChemBase ID: 274894
• Molecular Formular: C12H16O
• Molecular Mass: 176.25484
• Monoisotopic Mass: 176.12011513
• SMILES: C1(c2ccc(cc2)C)C(O)CCC1
• Canonical SMILES: OC1CCCC1c1ccc(cc1)C
• InChI: InChI=1S/C12H16O/c1-9-5-7-10(8-6-9)11-3-2-4-12(11)13/h5-8,11-13H,2-4H2,1H3
• InChIKey: NCTLUXMEQFNRRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00559292
• PubChem SID: 164330804
• PubChem CID: 2760650

CALCULATED PROPERTIES

• Acid pKa: 14.859104
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8483229
• LogD (pH = 7.4): 2.8483229
• Log P: 2.8483229
• Molar Refractivity: 54.2823 cm^3
• Polarizability: 21.128695 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.765

Product Information

• Purity: 95%