(5-fluoro-2-methoxyphenyl)methanol

• ChemBase ID: 99745
• Molecular Formular: C8H9FO2
• Molecular Mass: 156.1542632
• Monoisotopic Mass: 156.05865775
• SMILES: OCc1c(ccc(c1)F)OC
• Canonical SMILES: OCc1cc(F)ccc1OC
• InChI: InChI=1S/C8H9FO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4,10H,5H2,1H3
• InChIKey: NJDNHGOIOZXFCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-fluoro-2-methoxyphenyl)methanol
• IUPAC Traditional name: (5-fluoro-2-methoxyphenyl)methanol
• Synonyms: 4-Fluoro-2-(hydroxymethyl)anisole; 5-Fluoro-2-methoxybenzyl alcohol; 5-Fluoro-2-methoxybenzyl alcohol, JRD; 5-氟-2-甲氧基苯甲醇, JRD

Database IDs

• CAS Number: 426831-32-5
• MDL Number: MFCD00671767
• PubChem SID: 162085995
• PubChem CID: 22014996

CALCULATED PROPERTIES

• Acid pKa: 14.523473
• 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: 15.006216 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 37°C; 37-39°C

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 97%