ethyl 2-(3-methoxyphenoxy)acetate

• ChemBase ID: 816281
• Molecular Formular: C11H14O4
• Molecular Mass: 210.22646
• Monoisotopic Mass: 210.08920893
• SMILES: C(C(=O)OCC)Oc1cc(ccc1)OC
• Canonical SMILES: CCOC(=O)COc1cccc(c1)OC
• InChI: InChI=1S/C11H14O4/c1-3-14-11(12)8-15-10-6-4-5-9(7-10)13-2/h4-7H,3,8H2,1-2H3
• InChIKey: RGCXMLIHLKQOHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(3-methoxyphenoxy)acetate
• IUPAC Traditional name: ethyl 2-(3-methoxyphenoxy)acetate
• Synonyms: (3-METHOXYPHENOXY) ACETIC ACID ETHYL ESTER

Database IDs

• CAS Number: 82815-86-9

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6385885
• LogD (pH = 7.4): 1.6385885
• Log P: 1.6385885
• Molar Refractivity: 54.5867 cm^3
• Polarizability: 21.67461 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%