(4-fluoro-3-methoxyphenyl)methanol

• ChemBase ID: 96987
• Molecular Formular: C8H9FO2
• Molecular Mass: 156.1542632
• Monoisotopic Mass: 156.05865775
• SMILES: Fc1c(cc(cc1)CO)OC
• Canonical SMILES: COc1cc(CO)ccc1F
• InChI: InChI=1S/C8H9FO2/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4,10H,5H2,1H3
• InChIKey: FZEDGSMVRLKUOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluoro-3-methoxyphenyl)methanol
• IUPAC Traditional name: (4-fluoro-3-methoxyphenyl)methanol
• Synonyms: (4-fluoro-3-methoxyphenyl)methanol; 2-Fluoro-5-(hydroxymethyl)anisole; (4-Fluoro-3-methoxyphenyl)methanol; 4-Fluoro-3-methoxybenzyl alcohol 97%; 4-Fluoro-3-methoxybenzyl alcohol; 4-氟-3-甲氧基苯甲醇

Database IDs

• CAS Number: 128495-45-4
• MDL Number: MFCD00272133
• PubChem SID: 162083619
• PubChem CID: 593590

CALCULATED PROPERTIES

• Acid pKa: 14.89388
• 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: 15.006475 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45 - 47°C; 47-50°C; 47-51°C
• Hydrophobicity(logP): 1.106

Safety Information

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

Product Information

• Purity: 95%