4-{[4-(furan-2-yl)phenyl]methyl}-2-(2-methoxyethyl)morpholine

• ChemBase ID: 398950
• Molecular Formular: C18H23NO3
• Molecular Mass: 301.38012
• Monoisotopic Mass: 301.1677936
• SMILES: N1(Cc2ccc(c3occc3)cc2)CC(OCC1)CCOC
• Canonical SMILES: COCCC1OCCN(C1)Cc1ccc(cc1)c1ccco1
• InChI: InChI=1S/C18H23NO3/c1-20-11-8-17-14-19(9-12-21-17)13-15-4-6-16(7-5-15)18-3-2-10-22-18/h2-7,10,17H,8-9,11-14H2,1H3
• InChIKey: ZZTGHHLMBJEBHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[4-(furan-2-yl)phenyl]methyl}-2-(2-methoxyethyl)morpholine
• IUPAC Traditional name: 4-{[4-(furan-2-yl)phenyl]methyl}-2-(2-methoxyethyl)morpholine
• Synonyms: 4-[4-(2-furyl)benzyl]-2-(2-methoxyethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.67616135
• LogD (pH = 7.4): 2.2216873
• Log P: 2.4763653
• Molar Refractivity: 86.7814 cm^3
• Polarizability: 35.069412 Å^3
• Polar Surface Area: 34.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.37
• LOG S: -2.41
• Polar Surface Area: 34.84 Å^2
• Rotatable Bonds: 6