5-fluoro-2-methoxyphenol

• ChemBase ID: 68920
• Molecular Formular: C7H7FO2
• Molecular Mass: 142.1276832
• Monoisotopic Mass: 142.04300768
• SMILES: c1(c(ccc(c1)F)OC)O
• Canonical SMILES: COc1ccc(cc1O)F
• InChI: InChI=1S/C7H7FO2/c1-10-7-3-2-5(8)4-6(7)9/h2-4,9H,1H3
• InChIKey: PPJKLEQAFZWIQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-methoxyphenol
• IUPAC Traditional name: 5-fluoro-2-methoxyphenol
• Synonyms: 5-Fluoro-2-methoxyphenol 96%; 2-Hydroxy-4-fluoroanisole; 4-Fluoro-2-hydroxyphenyl methyl ether; 5-Fluoroguaiacol; 5-Fluoro-2-methoxyphenol 98%; 5-Fluoro-2-methoxyphenol

Database IDs

• CAS Number: 72955-97-6
• MDL Number: MFCD00143459
• PubChem SID: 162034650
• PubChem CID: 2774559

CALCULATED PROPERTIES

• Acid pKa: 8.95989
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6545616
• LogD (pH = 7.4): 1.6429961
• Log P: 1.6547111
• Molar Refractivity: 34.7185 cm^3
• Polarizability: 13.176673 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Harmful/Store under Argon; Corrosive/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%