ethyl 2-(3-methylphenoxy)acetate

• ChemBase ID: 816282
• Molecular Formular: C11H14O3
• Molecular Mass: 194.22706
• Monoisotopic Mass: 194.09429431
• SMILES: C(C(=O)OCC)Oc1cc(ccc1)C
• Canonical SMILES: CCOC(=O)COc1cccc(c1)C
• InChI: InChI=1S/C11H14O3/c1-3-13-11(12)8-14-10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3
• InChIKey: YITOTGGGSHWZDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 66047-01-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3096812
• LogD (pH = 7.4): 2.3096812
• Log P: 2.3096812
• Molar Refractivity: 53.1647 cm^3
• Polarizability: 20.90155 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%