3-methoxy-1-[3-(2-methoxyphenoxy)azetidin-1-yl]propan-1-one

• ChemBase ID: 471053
• Molecular Formular: C14H19NO4
• Molecular Mass: 265.30496
• Monoisotopic Mass: 265.13140809
• SMILES: N1(C(=O)CCOC)CC(C1)Oc1c(OC)cccc1
• Canonical SMILES: COCCC(=O)N1CC(C1)Oc1ccccc1OC
• InChI: InChI=1S/C14H19NO4/c1-17-8-7-14(16)15-9-11(10-15)19-13-6-4-3-5-12(13)18-2/h3-6,11H,7-10H2,1-2H3
• InChIKey: XOMCDPAZIGHMGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-1-[3-(2-methoxyphenoxy)azetidin-1-yl]propan-1-one
• IUPAC Traditional name: 3-methoxy-1-[3-(2-methoxyphenoxy)azetidin-1-yl]propan-1-one
• Synonyms: 3-(2-methoxyphenoxy)-1-(3-methoxypropanoyl)azetidine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 0.84
• LOG S: -1.85
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 0

JChem

• Molar Refractivity: 70.1287 cm^3
• Polarizability: 27.611132 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.85457546
• LogD (pH = 7.4): 0.85457546
• Log P: 0.85457546