2-[(2-methoxyphenyl)methyl]cyclopentan-1-ol

• ChemBase ID: 244098
• Molecular Formular: C13H18O2
• Molecular Mass: 206.28082
• Monoisotopic Mass: 206.13067982
• SMILES: C(c1c(OC)cccc1)C1C(O)CCC1
• Canonical SMILES: COc1ccccc1CC1CCCC1O
• InChI: InChI=1S/C13H18O2/c1-15-13-8-3-2-5-11(13)9-10-6-4-7-12(10)14/h2-3,5,8,10,12,14H,4,6-7,9H2,1H3
• InChIKey: BEZPHADQLNSEQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16091487
• PubChem SID: 164300008
• PubChem CID: 61749157

CALCULATED PROPERTIES

• Acid pKa: 14.939962
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.621799
• LogD (pH = 7.4): 2.621799
• Log P: 2.621799
• Molar Refractivity: 60.3053 cm^3
• Polarizability: 23.710089 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.564

Product Information

• Purity: 95%