(2-fluoro-4-methoxyphenyl)methanol

• ChemBase ID: 99845
• Molecular Formular: C8H9FO2
• Molecular Mass: 156.1542632
• Monoisotopic Mass: 156.05865775
• SMILES: OCc1c(cc(cc1)OC)F
• Canonical SMILES: COc1ccc(c(c1)F)CO
• InChI: InChI=1S/C8H9FO2/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4,10H,5H2,1H3
• InChIKey: AZYGOIQKPGPBTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-fluoro-4-methoxyphenyl)methanol
• IUPAC Traditional name: (2-fluoro-4-methoxyphenyl)methanol
• Synonyms: 3-Fluoro-4-(hydroxymethyl)anisole; 2-Fluoro-p-anisyl alcohol; (2-Fluoro-4-methoxyphenyl)methanol; 2-Fluoro-4-methoxybenzyl alcohol 99%; 2-Fluoro-4-methoxybenzyl alcohol; 2-FLUORO-4-METHOXYBENZYL ALCOHOL; 2-氟-4-甲氧基苄醇

Database IDs

• CAS Number: 405-09-4
• MDL Number: MFCD04116336
• PubChem SID: 162086092
• PubChem CID: 593638

CALCULATED PROPERTIES

• Acid pKa: 14.555469
• 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: 15.0059185 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

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: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 97%; 98%