{2-fluoro-5-[2-(morpholin-4-ylmethyl)phenoxy]phenyl}methanol

• ChemBase ID: 729340
• Molecular Formular: C18H20FNO3
• Molecular Mass: 317.3547032
• Monoisotopic Mass: 317.14272173
• SMILES: c1(c(Oc2cc(c(cc2)F)CO)cccc1)CN1CCOCC1
• Canonical SMILES: OCc1cc(ccc1F)Oc1ccccc1CN1CCOCC1
• InChI: InChI=1S/C18H20FNO3/c19-17-6-5-16(11-15(17)13-21)23-18-4-2-1-3-14(18)12-20-7-9-22-10-8-20/h1-6,11,21H,7-10,12-13H2
• InChIKey: WBYGUAXAUNWCLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-fluoro-5-[2-(morpholin-4-ylmethyl)phenoxy]phenyl}methanol
• IUPAC Traditional name: {2-fluoro-5-[2-(morpholin-4-ylmethyl)phenoxy]phenyl}methanol
• Synonyms: {2-fluoro-5-[2-(morpholin-4-ylmethyl)phenoxy]phenyl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.425665
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.687784
• LogD (pH = 7.4): 2.5367653
• Log P: 2.5717814
• Molar Refractivity: 86.9483 cm^3
• Polarizability: 33.46276 Å^3
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.27
• LOG S: -2.44
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 5