2-methyl-2-phenylpentan-3-ol

• ChemBase ID: 277912
• Molecular Formular: C12H18O
• Molecular Mass: 178.27072
• Monoisotopic Mass: 178.1357652
• SMILES: C(c1ccccc1)(C(O)CC)(C)C
• Canonical SMILES: CCC(C(c1ccccc1)(C)C)O
• InChI: InChI=1S/C12H18O/c1-4-11(13)12(2,3)10-8-6-5-7-9-10/h5-9,11,13H,4H2,1-3H3
• InChIKey: FRLRVNXIRKQUKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-phenylpentan-3-ol
• IUPAC Traditional name: 2-methyl-2-phenylpentan-3-ol
• Synonyms: 2-methyl-2-phenylpentan-3-ol

Database IDs

• MDL Number: MFCD17292155
• PubChem SID: 164333822
• PubChem CID: 13130284

CALCULATED PROPERTIES

• Acid pKa: 14.62706
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1766284
• LogD (pH = 7.4): 3.1766284
• Log P: 3.1766284
• Molar Refractivity: 55.4414 cm^3
• Polarizability: 21.948149 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.969

Product Information

• Purity: 95%