{4-[(5-fluoro-2-methoxyphenyl)methyl]morpholin-3-yl}methanol

• ChemBase ID: 865463
• Molecular Formular: C13H18FNO3
• Molecular Mass: 255.2853232
• Monoisotopic Mass: 255.12707166
• SMILES: N1(Cc2c(ccc(c2)F)OC)C(COCC1)CO
• Canonical SMILES: OCC1COCCN1Cc1cc(F)ccc1OC
• InChI: InChI=1S/C13H18FNO3/c1-17-13-3-2-11(14)6-10(13)7-15-4-5-18-9-12(15)8-16/h2-3,6,12,16H,4-5,7-9H2,1H3
• InChIKey: HFTGMVMYBYSYPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[(5-fluoro-2-methoxyphenyl)methyl]morpholin-3-yl}methanol
• IUPAC Traditional name: {4-[(5-fluoro-2-methoxyphenyl)methyl]morpholin-3-yl}methanol
• Synonyms: [4-(5-fluoro-2-methoxybenzyl)morpholin-3-yl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.038292
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.71936965
• LogD (pH = 7.4): 1.044619
• Log P: 1.0508379
• Molar Refractivity: 66.3173 cm^3
• Polarizability: 25.701942 Å^3
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.32
• LOG S: -1.18
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 4