(5-fluoro-2-methylphenyl)methanol

• ChemBase ID: 93173
• Molecular Formular: C8H9FO
• Molecular Mass: 140.1548632
• Monoisotopic Mass: 140.06374313
• SMILES: OCc1c(ccc(c1)F)C
• Canonical SMILES: OCc1cc(F)ccc1C
• InChI: InChI=1S/C8H9FO/c1-6-2-3-8(9)4-7(6)5-10/h2-4,10H,5H2,1H3
• InChIKey: WEXCPHVQJFWNFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-fluoro-2-methylphenyl)methanol
• IUPAC Traditional name: (5-fluoro-2-methylphenyl)methanol
• Synonyms: (5-Fluoro-2-methylphenyl)methanol; 4-Fluoro-2-(hydroxymethyl)toluene; 5-Fluoro-2-methylbenzyl alcohol; 5-Fluoro-2-methylbenzyl alcohol; 5-氟-2-甲基苯甲醇

Database IDs

• CAS Number: 22062-54-0
• MDL Number: MFCD01631527
• PubChem SID: 162079858
• PubChem CID: 2774595

CALCULATED PROPERTIES

• Acid pKa: 14.863029
• 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: 14.214139 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 36-40°C; 36-40°C

Safety Information

• Storage Warning: Irritant
• TSCA Listed: 否

Product Information

• Purity: 98%