4-fluoro-3-methoxyphenol

• ChemBase ID: 290325
• Molecular Formular: C7H7FO2
• Molecular Mass: 142.1276832
• Monoisotopic Mass: 142.04300768
• SMILES: Oc1ccc(F)c(OC)c1
• Canonical SMILES: COc1cc(O)ccc1F
• InChI: InChI=1S/C7H7FO2/c1-10-7-4-5(9)2-3-6(7)8/h2-4,9H,1H3
• InChIKey: WZUOZXFYRZFFEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-3-methoxyphenol
• IUPAC Traditional name: 4-fluoro-3-methoxyphenol
• Synonyms: 4-Fluoro-3-methoxyphenol

Database IDs

• CAS Number: 117902-15-5
• MDL Number: MFCD10698649
• PubChem SID: 180675856
• PubChem CID: 14118956

CALCULATED PROPERTIES

• Acid pKa: 9.240836
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6546328
• LogD (pH = 7.4): 1.6485285
• Log P: 1.6547111
• Molar Refractivity: 34.7185 cm^3
• Polarizability: 13.175595 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%