(2-tert-butylphenyl)methanol

• ChemBase ID: 241327
• Molecular Formular: C11H16O
• Molecular Mass: 164.24414
• Monoisotopic Mass: 164.12011513
• SMILES: c1(C(C)(C)C)c(CO)cccc1
• Canonical SMILES: OCc1ccccc1C(C)(C)C
• InChI: InChI=1S/C11H16O/c1-11(2,3)10-7-5-4-6-9(10)8-12/h4-7,12H,8H2,1-3H3
• InChIKey: QYUGGQFEZYGJPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-tert-butylphenyl)methanol
• IUPAC Traditional name: (2-tert-butylphenyl)methanol
• Synonyms: (2-tert-butylphenyl)methanol

Database IDs

• MDL Number: MFCD15527515
• PubChem SID: 164297237
• PubChem CID: 19822435

CALCULATED PROPERTIES

• Acid pKa: 15.005548
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7509522
• LogD (pH = 7.4): 2.7509522
• Log P: 2.7509522
• Molar Refractivity: 51.5398 cm^3
• Polarizability: 20.096973 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.88

Product Information

• Purity: 95%