2-phenylcyclopentan-1-ol

• ChemBase ID: 274896
• Molecular Formular: C11H14O
• Molecular Mass: 162.22826
• Monoisotopic Mass: 162.10446507
• SMILES: C1(c2ccccc2)C(O)CCC1
• Canonical SMILES: OC1CCCC1c1ccccc1
• InChI: InChI=1S/C11H14O/c12-11-8-4-7-10(11)9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2
• InChIKey: GKYMKMKCZAPNTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylcyclopentan-1-ol
• IUPAC Traditional name: 2-phenylcyclopentan-1-ol
• Synonyms: 2-phenylcyclopentan-1-ol

Database IDs

• MDL Number: MFCD00559293
• PubChem SID: 164330806
• PubChem CID: 316766

CALCULATED PROPERTIES

• Acid pKa: 14.845804
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3349016
• LogD (pH = 7.4): 2.3349016
• Log P: 2.3349016
• Molar Refractivity: 49.2411 cm^3
• Polarizability: 19.36286 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.266

Product Information

• Purity: 95%