1-[2-fluoro-6-(morpholin-4-yl)phenyl]ethan-1-ol

• ChemBase ID: 278000
• Molecular Formular: C12H16FNO2
• Molecular Mass: 225.2593432
• Monoisotopic Mass: 225.11650698
• SMILES: c1(c(N2CCOCC2)cccc1F)C(O)C
• Canonical SMILES: CC(c1c(F)cccc1N1CCOCC1)O
• InChI: InChI=1S/C12H16FNO2/c1-9(15)12-10(13)3-2-4-11(12)14-5-7-16-8-6-14/h2-4,9,15H,5-8H2,1H3
• InChIKey: XGXUERMNJRXEOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-fluoro-6-(morpholin-4-yl)phenyl]ethan-1-ol
• IUPAC Traditional name: 1-[2-fluoro-6-(morpholin-4-yl)phenyl]ethanol
• Synonyms: 1-[2-fluoro-6-(morpholin-4-yl)phenyl]ethan-1-ol

Database IDs

• MDL Number: MFCD12186142
• PubChem SID: 164333910
• PubChem CID: 43505881

CALCULATED PROPERTIES

• Acid pKa: 14.3746195
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6547164
• LogD (pH = 7.4): 1.6547164
• Log P: 1.6547164
• Molar Refractivity: 61.0122 cm^3
• Polarizability: 22.78341 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.183

Product Information

• Purity: 95%