2-methyl-2-phenylpropan-1-ol

• ChemBase ID: 265861
• Molecular Formular: C10H14O
• Molecular Mass: 150.21756
• Monoisotopic Mass: 150.10446507
• SMILES: C(c1ccccc1)(CO)(C)C
• Canonical SMILES: OCC(c1ccccc1)(C)C
• InChI: InChI=1S/C10H14O/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
• InChIKey: ZVSCENGNXWPDPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-phenylpropan-1-ol
• IUPAC Traditional name: 2-methyl-2-phenylpropan-1-ol
• Synonyms: 2-methyl-2-phenylpropan-1-ol

Database IDs

• MDL Number: MFCD00506139
• PubChem SID: 164321771
• PubChem CID: 219535

CALCULATED PROPERTIES

• Acid pKa: 15.033464
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.237531
• LogD (pH = 7.4): 2.237531
• Log P: 2.237531
• Molar Refractivity: 46.4986 cm^3
• Polarizability: 18.255266 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.131

Product Information

• Purity: 95%