ethyl 2-(2,6-dimethoxyphenoxy)acetate

• ChemBase ID: 297578
• Molecular Formular: C12H16O5
• Molecular Mass: 240.25244
• Monoisotopic Mass: 240.09977361
• SMILES: CCOC(=O)COc1c(cccc1OC)OC
• Canonical SMILES: CCOC(=O)COc1c(OC)cccc1OC
• InChI: InChI=1S/C12H16O5/c1-4-16-11(13)8-17-12-9(14-2)6-5-7-10(12)15-3/h5-7H,4,8H2,1-3H3
• InChIKey: XLQILMHBBWLVKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(2,6-dimethoxyphenoxy)acetate
• IUPAC Traditional name: ethyl 2-(2,6-dimethoxyphenoxy)acetate
• Synonyms: 2,6-Dimethoxyphenoxyacetic acid ethyl ester; Ethyl (2,6-dimethoxyphenoxy)acetate; 2,6-二甲氧基苯氧基醋酸乙酯

Database IDs

• CAS Number: 15267-83-1
• MDL Number: MFCD08064243
• PubChem SID: 180683109
• PubChem CID: 24208816

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4809173
• LogD (pH = 7.4): 1.4809173
• Log P: 1.4809173
• Molar Refractivity: 61.0499 cm^3
• Polarizability: 24.220606 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否