3-(2-chlorophenoxy)-1-(oxolan-3-ylmethyl)azetidine

• ChemBase ID: 841154
• Molecular Formular: C14H18ClNO2
• Molecular Mass: 267.75122
• Monoisotopic Mass: 267.1026065
• SMILES: N1(CC(Oc2c(Cl)cccc2)C1)CC1COCC1
• Canonical SMILES: Clc1ccccc1OC1CN(C1)CC1COCC1
• InChI: InChI=1S/C14H18ClNO2/c15-13-3-1-2-4-14(13)18-12-8-16(9-12)7-11-5-6-17-10-11/h1-4,11-12H,5-10H2
• InChIKey: VFSKLNKEPDJUGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-chlorophenoxy)-1-(oxolan-3-ylmethyl)azetidine
• IUPAC Traditional name: 3-(2-chlorophenoxy)-1-(oxolan-3-ylmethyl)azetidine
• Synonyms: 3-(2-chlorophenoxy)-1-(tetrahydro-3-furanylmethyl)azetidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1113982
• LogD (pH = 7.4): 2.2645993
• Log P: 2.345281
• Molar Refractivity: 71.64 cm^3
• Polarizability: 28.387157 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.15
• LOG S: -1.98
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 4