(2R)-1-phenylbutan-2-ol

• ChemBase ID: 283208
• Molecular Formular: C10H14O
• Molecular Mass: 150.21756
• Monoisotopic Mass: 150.10446507
• SMILES: C(c1ccccc1)[C@H](O)CC
• Canonical SMILES: CC[C@H](Cc1ccccc1)O
• InChI: InChI=1S/C10H14O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3/t10-/m1/s1
• InChIKey: LYUPJHVGLFETDG-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-1-phenylbutan-2-ol
• IUPAC Traditional name: (2R)-1-phenylbutan-2-ol
• Synonyms: (2R)-1-phenylbutan-2-ol

Database IDs

• MDL Number: MFCD20501959
• PubChem SID: 180668739
• PubChem CID: 7003733

CALCULATED PROPERTIES

• Acid pKa: 15.162188
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4336548
• LogD (pH = 7.4): 2.4336545
• Log P: 2.4336548
• Molar Refractivity: 46.5717 cm^3
• Polarizability: 18.25681 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.171

Product Information

• Purity: 95%