2-(2-methoxyphenoxymethyl)oxirane

• ChemBase ID: 120014
• Molecular Formular: C10H12O3
• Molecular Mass: 180.20048
• Monoisotopic Mass: 180.07864424
• SMILES: O1C(C1)COc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1OCC1CO1
• InChI: InChI=1S/C10H12O3/c1-11-9-4-2-3-5-10(9)13-7-8-6-12-8/h2-5,8H,6-7H2,1H3
• InChIKey: RJNVSQLNEALZLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenoxymethyl)oxirane; 2-[(2-methoxyphenoxy)methyl]oxirane
• IUPAC Traditional name: 2-(2-methoxyphenoxymethyl)oxirane
• Synonyms: 2-((2-methoxyphenoxy)methyl)oxirane; 1-(2-Methoxyphenoxy)-2,3-epoxypropane; 1-(2,3-Epoxypropoxy)-2-methoxybenzene; 1,2-Epoxy-3-(2-methoxyphenoxy)propane; 1,2-Epoxy-3-(o-methoxyphenoxy)propane; Glycidyl 2-Methoxyphenyl Ether; 1-(2-Methoxyphenoxy)-2,3-epoxypropane; NSC 112256; NSC 133442; 2-[(2-Methoxyphenoxy)methyl]oxirane; Guaiacol glycidyl ether

Database IDs

• CAS Number: 2210-74-4
• MDL Number: MFCD00190158
• PubChem SID: 162214367
• PubChem CID: 98357

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.49917
• LogD (pH = 7.4): 1.49917
• Log P: 1.49917
• Molar Refractivity: 47.7291 cm^3
• Polarizability: 19.017807 Å^3
• Polar Surface Area: 30.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: White Solid
• Melting Point: 33-36°C

Safety Information

• Storage Condition: -20°C Freezer

Product Information

• Purity: 95+%; 97%

DETAILS

Toronto Research Chemicals - M265700

Ranolazine intermediate.

REFERENCES

• Rogers, G., et al.: J. Med. Chem., 32, 1217 (1989)