3-(2-phenoxyethoxy)azetidine

• ChemBase ID: 45963
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: N1CC(C1)OCCOc1ccccc1
• Canonical SMILES: N1CC(C1)OCCOc1ccccc1
• InChI: InChI=1S/C11H15NO2/c1-2-4-10(5-3-1)13-6-7-14-11-8-12-9-11/h1-5,11-12H,6-9H2
• InChIKey: NWAPGELSMDJYAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-phenoxyethoxy)azetidine
• IUPAC Traditional name: 3-(2-phenoxyethoxy)azetidine
• Synonyms: 3-(2-Phenoxyethoxy)azetidine

Database IDs

• MDL Number: MFCD13559914
• PubChem SID: 162050726
• PubChem CID: 53409241

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6627955
• LogD (pH = 7.4): -0.09039045
• Log P: 1.2924378
• Molar Refractivity: 53.9903 cm^3
• Polarizability: 21.701061 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false