2-(2-methoxyphenyl)cyclopentan-1-ol

• ChemBase ID: 243614
• Molecular Formular: C12H16O2
• Molecular Mass: 192.25424
• Monoisotopic Mass: 192.11502975
• SMILES: c1(C2C(O)CCC2)c(OC)cccc1
• Canonical SMILES: COc1ccccc1C1CCCC1O
• InChI: InChI=1S/C12H16O2/c1-14-12-8-3-2-5-10(12)9-6-4-7-11(9)13/h2-3,5,8-9,11,13H,4,6-7H2,1H3
• InChIKey: VKPWQSCURHLAGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16818418
• PubChem SID: 164299524
• PubChem CID: 12333721

CALCULATED PROPERTIES

• Acid pKa: 14.790032
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1772304
• LogD (pH = 7.4): 2.1772304
• Log P: 2.1772304
• Molar Refractivity: 55.7043 cm^3
• Polarizability: 21.86428 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.785

Product Information

• Purity: 95%