3-(2-ethoxyphenoxy)azetidine

• ChemBase ID: 46011
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: N1CC(Oc2c(OCC)cccc2)C1
• Canonical SMILES: CCOc1ccccc1OC1CNC1
• InChI: InChI=1S/C11H15NO2/c1-2-13-10-5-3-4-6-11(10)14-9-7-12-8-9/h3-6,9,12H,2,7-8H2,1H3
• InChIKey: ZWADUXSAJCDZOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-ethoxyphenoxy)azetidine
• IUPAC Traditional name: 3-(2-ethoxyphenoxy)azetidine
• Synonyms: 3-(2-Ethoxyphenoxy)azetidine

Database IDs

• MDL Number: MFCD13559935
• PubChem SID: 162050774
• PubChem CID: 53409217

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2905773
• LogD (pH = 7.4): 0.371003
• Log P: 1.5385499
• Molar Refractivity: 54.1586 cm^3
• Polarizability: 21.685549 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false