4-[(5-chlorofuran-2-yl)methyl]-2-(2-methoxyethyl)morpholine

• ChemBase ID: 588109
• Molecular Formular: C12H18ClNO3
• Molecular Mass: 259.72922
• Monoisotopic Mass: 259.09752112
• SMILES: c1(oc(cc1)CN1CC(OCC1)CCOC)Cl
• Canonical SMILES: COCCC1OCCN(C1)Cc1ccc(o1)Cl
• InChI: InChI=1S/C12H18ClNO3/c1-15-6-4-10-8-14(5-7-16-10)9-11-2-3-12(13)17-11/h2-3,10H,4-9H2,1H3
• InChIKey: XEPGFHISQVIQGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(5-chlorofuran-2-yl)methyl]-2-(2-methoxyethyl)morpholine
• IUPAC Traditional name: 4-[(5-chlorofuran-2-yl)methyl]-2-(2-methoxyethyl)morpholine
• Synonyms: 4-[(5-chloro-2-furyl)methyl]-2-(2-methoxyethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.61967415
• LogD (pH = 7.4): 1.135381
• Log P: 1.1481954
• Molar Refractivity: 66.4511 cm^3
• Polarizability: 26.104218 Å^3
• Polar Surface Area: 34.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.21
• LOG S: -1.12
• Polar Surface Area: 34.84 Å^2
• Rotatable Bonds: 5