(2R)-2-[4-(2-methoxyethyl)phenoxymethyl]oxirane

• ChemBase ID: 172958
• Molecular Formular: C12H16O3
• Molecular Mass: 208.25364
• Monoisotopic Mass: 208.10994437
• SMILES: [C@@H]1(COc2ccc(cc2)CCOC)OC1
• Canonical SMILES: COCCc1ccc(cc1)OC[C@@H]1OC1
• InChI: InChI=1S/C12H16O3/c1-13-7-6-10-2-4-11(5-3-10)14-8-12-9-15-12/h2-5,12H,6-9H2,1H3/t12-/m0/s1
• InChIKey: UEOWFGJMGUIGHC-LBPRGKRZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-[4-(2-methoxyethyl)phenoxymethyl]oxirane
• IUPAC Traditional name: (2R)-2-[4-(2-methoxyethyl)phenoxymethyl]oxirane
• Synonyms: (-)-4-(2-Methoxyethyl)phenyl Glycidyl Ether; (R)-[[4-(2-Methoxyethyl)phenoxy]methyl]oxirane; (R)-3-[4-(2-Methoxyethyl)phenoxy]-1,2-epoxypropane

Database IDs

• CAS Number: 133397-54-3
• PubChem SID: 164228868
• PubChem CID: 11117262

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8212792
• LogD (pH = 7.4): 1.8212792
• Log P: 1.8212792
• Molar Refractivity: 57.588 cm^3
• Polarizability: 22.630125 Å^3
• Polar Surface Area: 30.99 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Yellow Liquid

DETAILS

Toronto Research Chemicals - M262596

Impurity of (R)-Metoprolol.

REFERENCES

• Murthy, S., et al.: J. Labelled Comp. Radiopharm., 28, 1410 (1990)