(4-fluoro-3-methylphenyl)methanol

• ChemBase ID: 7372
• Molecular Formular: C8H9FO
• Molecular Mass: 140.1548632
• Monoisotopic Mass: 140.06374313
• SMILES: c1c(c(cc(c1)CO)C)F
• Canonical SMILES: OCc1ccc(c(c1)C)F
• InChI: InChI=1S/C8H9FO/c1-6-4-7(5-10)2-3-8(6)9/h2-4,10H,5H2,1H3
• InChIKey: ULNDTGZJRKQCQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluoro-3-methylphenyl)methanol
• IUPAC Traditional name: (4-fluoro-3-methylphenyl)methanol
• Synonyms: 4-Fluoro-3-methylbenzyl alcohol

Database IDs

• CAS Number: 261951-66-0
• MDL Number: MFCD01631427
• PubChem SID: 160970679
• PubChem CID: 2774592

CALCULATED PROPERTIES

• Acid pKa: 15.008882
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8620194
• LogD (pH = 7.4): 1.8620194
• Log P: 1.8620194
• Molar Refractivity: 38.1315 cm^3
• Polarizability: 14.215588 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false