(3-fluoro-5-methoxyphenyl)methanol

• ChemBase ID: 95033
• Molecular Formular: C8H9FO2
• Molecular Mass: 156.1542632
• Monoisotopic Mass: 156.05865775
• SMILES: OCc1cc(cc(c1)F)OC
• Canonical SMILES: OCc1cc(OC)cc(c1)F
• InChI: InChI=1S/C8H9FO2/c1-11-8-3-6(5-10)2-7(9)4-8/h2-4,10H,5H2,1H3
• InChIKey: AKNFFYDXPZERQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-fluoro-5-methoxyphenyl)methanol
• IUPAC Traditional name: (3-fluoro-5-methoxyphenyl)methanol
• Synonyms: (3-Fluoro-5-methoxyphenyl)methanol; 3-Fluoro-5-(hydroxymethyl)anisole; 3-Fluoro-5-methoxybenzyl alcohol 98+%

Database IDs

• CAS Number: 914637-27-7
• MDL Number: MFCD08741377
• PubChem SID: 162081684
• PubChem CID: 26985456

CALCULATED PROPERTIES

• Acid pKa: 14.77384
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1909267
• LogD (pH = 7.4): 1.1909267
• Log P: 1.1909267
• Molar Refractivity: 39.5535 cm^3
• Polarizability: 15.006122 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 27-30°C

Safety Information

• Storage Warning: Corrosive