(2-ethoxy-5-{[2-(4-fluorophenyl)morpholin-4-yl]methyl}phenyl)methanol

• ChemBase ID: 866023
• Molecular Formular: C20H24FNO3
• Molecular Mass: 345.4078632
• Monoisotopic Mass: 345.17402185
• SMILES: N1(CC(c2ccc(cc2)F)OCC1)Cc1cc(c(cc1)OCC)CO
• Canonical SMILES: CCOc1ccc(cc1CO)CN1CCOC(C1)c1ccc(cc1)F
• InChI: InChI=1S/C20H24FNO3/c1-2-24-19-8-3-15(11-17(19)14-23)12-22-9-10-25-20(13-22)16-4-6-18(21)7-5-16/h3-8,11,20,23H,2,9-10,12-14H2,1H3
• InChIKey: WURRTCGPEQLHAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-ethoxy-5-{[2-(4-fluorophenyl)morpholin-4-yl]methyl}phenyl)methanol
• IUPAC Traditional name: (2-ethoxy-5-{[2-(4-fluorophenyl)morpholin-4-yl]methyl}phenyl)methanol
• Synonyms: (2-ethoxy-5-{[2-(4-fluorophenyl)morpholin-4-yl]methyl}phenyl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.673582
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.846588
• LogD (pH = 7.4): 2.9787102
• Log P: 3.054871
• Molar Refractivity: 96.2021 cm^3
• Polarizability: 37.079285 Å^3
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.49
• LOG S: -2.84
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 6