2-(4-methoxyphenyl)cyclobutan-1-ol

• ChemBase ID: 276697
• Molecular Formular: C11H14O2
• Molecular Mass: 178.22766
• Monoisotopic Mass: 178.09937969
• SMILES: C1(CCC1O)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C1CCC1O
• InChI: InChI=1S/C11H14O2/c1-13-9-4-2-8(3-5-9)10-6-7-11(10)12/h2-5,10-12H,6-7H2,1H3
• InChIKey: BQAYWLMATOYQNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenyl)cyclobutan-1-ol
• IUPAC Traditional name: 2-(4-methoxyphenyl)cyclobutan-1-ol
• Synonyms: 2-(4-methoxyphenyl)cyclobutan-1-ol

Database IDs

• MDL Number: MFCD19382279
• PubChem SID: 164332607
• PubChem CID: 54594310

CALCULATED PROPERTIES

• Acid pKa: 15.067834
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7326617
• LogD (pH = 7.4): 1.7326616
• Log P: 1.7326617
• Molar Refractivity: 51.1033 cm^3
• Polarizability: 20.019875 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.626

Product Information

• Purity: 95%