[4-(butan-2-yl)phenyl]methanol

• ChemBase ID: 247522
• Molecular Formular: C11H16O
• Molecular Mass: 164.24414
• Monoisotopic Mass: 164.12011513
• SMILES: c1(ccc(cc1)CO)C(CC)C
• Canonical SMILES: CCC(c1ccc(cc1)CO)C
• InChI: InChI=1S/C11H16O/c1-3-9(2)11-6-4-10(8-12)5-7-11/h4-7,9,12H,3,8H2,1-2H3
• InChIKey: RJRZIUAHNFBHHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(butan-2-yl)phenyl]methanol
• IUPAC Traditional name: [4-(sec-butyl)phenyl]methanol
• Synonyms: [4-(butan-2-yl)phenyl]methanol

Database IDs

• MDL Number: MFCD16301138
• PubChem SID: 164303432
• PubChem CID: 13495572

CALCULATED PROPERTIES

• Acid pKa: 15.048399
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.895474
• LogD (pH = 7.4): 2.895474
• Log P: 2.895474
• Molar Refractivity: 51.6657 cm^3
• Polarizability: 20.097301 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.06

Product Information

• Purity: 95%