(2-fluoro-3-methylphenyl)methanol

• ChemBase ID: 100923
• Molecular Formular: C8H9FO
• Molecular Mass: 140.1548632
• Monoisotopic Mass: 140.06374313
• SMILES: Fc1c(cccc1C)CO
• Canonical SMILES: OCc1cccc(c1F)C
• InChI: InChI=1S/C8H9FO/c1-6-3-2-4-7(5-10)8(6)9/h2-4,10H,5H2,1H3
• InChIKey: QUXNTFQQUQFLDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-fluoro-3-methylphenyl)methanol
• IUPAC Traditional name: (2-fluoro-3-methylphenyl)methanol
• Synonyms: 2-Fluoro-3-methylbenzyl alcohol

Database IDs

• MDL Number: MFCD07368780
• PubChem SID: 162087457
• PubChem CID: 2783143

CALCULATED PROPERTIES

• Acid pKa: 14.606495
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8620194
• LogD (pH = 7.4): 1.8620193
• Log P: 1.8620194
• Molar Refractivity: 38.1315 cm^3
• Polarizability: 14.215397 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive