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

• ChemBase ID: 247061
• Molecular Formular: C12H18O
• Molecular Mass: 178.27072
• Monoisotopic Mass: 178.1357652
• SMILES: C(c1ccc(cc1)CO)(CC)(C)C
• Canonical SMILES: CCC(c1ccc(cc1)CO)(C)C
• InChI: InChI=1S/C12H18O/c1-4-12(2,3)11-7-5-10(9-13)6-8-11/h5-8,13H,4,9H2,1-3H3
• InChIKey: NYDVJRKFNKWLAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19440013
• PubChem SID: 164302971
• PubChem CID: 23345339

CALCULATED PROPERTIES

• Acid pKa: 15.043442
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1955209
• LogD (pH = 7.4): 3.1955209
• Log P: 3.1955209
• Molar Refractivity: 56.1408 cm^3
• Polarizability: 21.943016 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.459

Product Information

• Purity: 95%