3-(2-methoxyphenoxy)-1-(3-methylfuran-2-carbonyl)azetidine

• ChemBase ID: 330826
• Molecular Formular: C16H17NO4
• Molecular Mass: 287.31048
• Monoisotopic Mass: 287.11575803
• SMILES: N1(C(=O)c2c(cco2)C)CC(C1)Oc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1OC1CN(C1)C(=O)c1occc1C
• InChI: InChI=1S/C16H17NO4/c1-11-7-8-20-15(11)16(18)17-9-12(10-17)21-14-6-4-3-5-13(14)19-2/h3-8,12H,9-10H2,1-2H3
• InChIKey: OFLSTJWIRWOJCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyphenoxy)-1-(3-methylfuran-2-carbonyl)azetidine
• IUPAC Traditional name: 3-(2-methoxyphenoxy)-1-(3-methylfuran-2-carbonyl)azetidine
• Synonyms: 3-(2-methoxyphenoxy)-1-(3-methyl-2-furoyl)azetidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2195268
• LogD (pH = 7.4): 2.2195268
• Log P: 2.2195268
• Molar Refractivity: 77.0785 cm^3
• Polarizability: 29.412313 Å^3
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.97
• LOG S: -2.98
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 4