2-(2,4-difluorophenyl)ethan-1-ol

• ChemBase ID: 247987
• Molecular Formular: C8H8F2O
• Molecular Mass: 158.1453264
• Monoisotopic Mass: 158.05432132
• SMILES: c1(cc(ccc1CCO)F)F
• Canonical SMILES: OCCc1ccc(cc1F)F
• InChI: InChI=1S/C8H8F2O/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5,11H,3-4H2
• InChIKey: BAOQAPMRTVBEKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-difluorophenyl)ethan-1-ol
• IUPAC Traditional name: 2-(2,4-difluorophenyl)ethanol
• Synonyms: 2-(2,4-difluorophenyl)ethan-1-ol

Database IDs

• MDL Number: MFCD00142823
• PubChem SID: 164303897
• PubChem CID: 53403461

CALCULATED PROPERTIES

• Acid pKa: 15.752897
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.7799611
• LogD (pH = 7.4): 1.7799611
• Log P: 1.7799611
• Molar Refractivity: 38.0617 cm^3
• Polarizability: 13.990141 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.619

Product Information

• Purity: 95%