2-(2-ethoxyphenoxymethyl)oxirane

• ChemBase ID: 168364
• Molecular Formular: C11H14O3
• Molecular Mass: 194.22706
• Monoisotopic Mass: 194.09429431
• SMILES: c1cc(c(cc1)OCC1CO1)OCC
• Canonical SMILES: CCOc1ccccc1OCC1CO1
• InChI: InChI=1S/C11H14O3/c1-2-12-10-5-3-4-6-11(10)14-8-9-7-13-9/h3-6,9H,2,7-8H2,1H3
• InChIKey: DJOGZXNBSUIGKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethoxyphenoxymethyl)oxirane
• IUPAC Traditional name: 2-(2-ethoxyphenoxymethyl)oxirane
• Synonyms: 2-[(2-Ethoxyphenoxy)methyl]oxirane; 1-(2-Ethoxyphenoxy)-2,3-epoxypropane; 2-Ethoxyphenyl Glycidyl Ether; 2-(2-Ethoxyphenoxymethyl)oxirane

Database IDs

• CAS Number: 5296-35-5
• PubChem SID: 162262496
• PubChem CID: 12959379

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8559779
• LogD (pH = 7.4): 1.8559779
• Log P: 1.8559779
• Molar Refractivity: 52.4777 cm^3
• Polarizability: 20.855433 Å^3
• Polar Surface Area: 30.99 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate
• Apperance: Colourless Oil

DETAILS

Toronto Research Chemicals - E892685

Intermediate in the preparation of Morpholine derivatives.