ethyl 2-(4-methoxy-3-methylphenyl)acetate

• ChemBase ID: 796246
• Molecular Formular: C12H16O3
• Molecular Mass: 208.25364
• Monoisotopic Mass: 208.10994437
• SMILES: O(C(=O)Cc1cc(c(cc1)OC)C)CC
• Canonical SMILES: CCOC(=O)Cc1ccc(c(c1)C)OC
• InChI: InChI=1S/C12H16O3/c1-4-15-12(13)8-10-5-6-11(14-3)9(2)7-10/h5-7H,4,8H2,1-3H3
• InChIKey: DNPQGUQGWRSDGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(4-methoxy-3-methylphenyl)acetate
• IUPAC Traditional name: ethyl 2-(4-methoxy-3-methylphenyl)acetate
• Synonyms: ethyl 2-(4-methoxy-3-methylphenyl)acetate

Database IDs

• CAS Number: 4503-90-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4694462
• LogD (pH = 7.4): 2.4694462
• Log P: 2.4694462
• Molar Refractivity: 58.3877 cm^3
• Polarizability: 22.738281 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%