2-phenylpentan-2-ol

• ChemBase ID: 295648
• Molecular Formular: C11H16O
• Molecular Mass: 164.24414
• Monoisotopic Mass: 164.12011513
• SMILES: CCCC(C)(c1ccccc1)O
• Canonical SMILES: CCCC(c1ccccc1)(O)C
• InChI: InChI=1S/C11H16O/c1-3-9-11(2,12)10-7-5-4-6-8-10/h4-8,12H,3,9H2,1-2H3
• InChIKey: YBQOTTAEVBHNEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylpentan-2-ol
• IUPAC Traditional name: 2-phenylpentan-2-ol
• Synonyms: Methyl phenyl n-propyl carbinol; 2-Phenyl-2-pentanol; 2-苯基-2-戊醇

Database IDs

• CAS Number: 4383-18-0
• MDL Number: MFCD00046592
• PubChem SID: 180681179
• PubChem CID: 138214

CALCULATED PROPERTIES

• Acid pKa: 14.321605
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.870139
• LogD (pH = 7.4): 2.8701386
• Log P: 2.870139
• Molar Refractivity: 51.0559 cm^3
• Polarizability: 20.178843 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%