3-(3-methoxyphenoxy)-1-[(5-propylfuran-2-yl)methyl]azetidine

• ChemBase ID: 649955
• Molecular Formular: C18H23NO3
• Molecular Mass: 301.38012
• Monoisotopic Mass: 301.1677936
• SMILES: N1(Cc2oc(cc2)CCC)CC(C1)Oc1cc(OC)ccc1
• Canonical SMILES: CCCc1ccc(o1)CN1CC(C1)Oc1cccc(c1)OC
• InChI: InChI=1S/C18H23NO3/c1-3-5-14-8-9-17(21-14)11-19-12-18(13-19)22-16-7-4-6-15(10-16)20-2/h4,6-10,18H,3,5,11-13H2,1-2H3
• InChIKey: VAFIHPUWJDVYMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-methoxyphenoxy)-1-[(5-propylfuran-2-yl)methyl]azetidine
• IUPAC Traditional name: 3-(3-methoxyphenoxy)-1-[(5-propylfuran-2-yl)methyl]azetidine
• Synonyms: 3-(3-methoxyphenoxy)-1-[(5-propyl-2-furyl)methyl]azetidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6549761
• LogD (pH = 7.4): 3.4831345
• Log P: 3.5161622
• Molar Refractivity: 85.9829 cm^3
• Polarizability: 33.588238 Å^3
• Polar Surface Area: 34.84 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.59
• LOG S: -3.46
• Polar Surface Area: 34.84 Å^2
• Rotatable Bonds: 7