1-(2-fluoro-5-methylphenyl)ethan-1-ol

• ChemBase ID: 245031
• Molecular Formular: C9H11FO
• Molecular Mass: 154.1814432
• Monoisotopic Mass: 154.07939319
• SMILES: c1(c(ccc(c1)C)F)C(O)C
• Canonical SMILES: Cc1ccc(c(c1)C(O)C)F
• InChI: InChI=1S/C9H11FO/c1-6-3-4-9(10)8(5-6)7(2)11/h3-5,7,11H,1-2H3
• InChIKey: URFIFPHJQPTBGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluoro-5-methylphenyl)ethan-1-ol
• IUPAC Traditional name: 1-(2-fluoro-5-methylphenyl)ethanol
• Synonyms: 1-(2-fluoro-5-methylphenyl)ethan-1-ol

Database IDs

• MDL Number: MFCD17222662
• PubChem SID: 164300941
• PubChem CID: 20785287

CALCULATED PROPERTIES

• Acid pKa: 14.444979
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2785945
• LogD (pH = 7.4): 2.2785943
• Log P: 2.2785945
• Molar Refractivity: 42.5503 cm^3
• Polarizability: 16.04741 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.055

Product Information

• Purity: 95%