(2-fluoro-5-methylphenyl)methanol

• ChemBase ID: 180082
• Molecular Formular: C8H9FO
• Molecular Mass: 140.1548632
• Monoisotopic Mass: 140.06374313
• SMILES: C(c1c(ccc(c1)C)F)O
• Canonical SMILES: OCc1cc(C)ccc1F
• InChI: InChI=1S/C8H9FO/c1-6-2-3-8(9)7(4-6)5-10/h2-4,10H,5H2,1H3
• InChIKey: KJNSKKLMCXORGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-fluoro-5-methylphenyl)methanol
• IUPAC Traditional name: (2-fluoro-5-methylphenyl)methanol
• Synonyms: 2-Fluoro-5-methylbenzyl alcohol

Database IDs

• CAS Number: 64977-30-6
• PubChem SID: 164235992
• PubChem CID: 12407611

CALCULATED PROPERTIES

• Acid pKa: 14.585021
• 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: 14.213676 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true