1-(5-fluoro-2-methoxyphenyl)ethan-1-ol

• ChemBase ID: 296812
• Molecular Formular: C9H11FO2
• Molecular Mass: 170.1808432
• Monoisotopic Mass: 170.07430781
• SMILES: CC(c1cc(ccc1OC)F)O
• Canonical SMILES: COc1ccc(cc1C(O)C)F
• InChI: InChI=1S/C9H11FO2/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-6,11H,1-2H3
• InChIKey: VLBOHPCLXJIASU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-fluoro-2-methoxyphenyl)ethan-1-ol
• IUPAC Traditional name: 1-(5-fluoro-2-methoxyphenyl)ethanol
• Synonyms: 1-(5-Fluoro-2-methoxyphenyl)ethanol; 1-(5-氟-2-甲氧基苯基)乙醇

Database IDs

• CAS Number: 878572-08-8
• MDL Number: MFCD08062369
• PubChem SID: 180682343
• PubChem CID: 44891074

CALCULATED PROPERTIES

• Acid pKa: 14.399215
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6075017
• LogD (pH = 7.4): 1.6075017
• Log P: 1.6075017
• Molar Refractivity: 43.9723 cm^3
• Polarizability: 16.83261 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95%