1-phenylcyclopentan-1-ol

• ChemBase ID: 265704
• Molecular Formular: C11H14O
• Molecular Mass: 162.22826
• Monoisotopic Mass: 162.10446507
• SMILES: C1(c2ccccc2)(O)CCCC1
• Canonical SMILES: OC1(CCCC1)c1ccccc1
• InChI: InChI=1S/C11H14O/c12-11(8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2
• InChIKey: ITHZGJVAQFFNCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00060796
• PubChem SID: 164321614
• PubChem CID: 139165

CALCULATED PROPERTIES

• Acid pKa: 14.082123
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4843667
• LogD (pH = 7.4): 2.4843667
• Log P: 2.4843667
• Molar Refractivity: 49.1767 cm^3
• Polarizability: 19.438856 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.566

Product Information

• Purity: 95%