ethyl 2-(4-methoxyphenyl)acetate

• ChemBase ID: 293547
• Molecular Formular: C11H14O3
• Molecular Mass: 194.22706
• Monoisotopic Mass: 194.09429431
• SMILES: O=C(OCC)Cc1ccc(OC)cc1
• Canonical SMILES: CCOC(=O)Cc1ccc(cc1)OC
• InChI: InChI=1S/C11H14O3/c1-3-14-11(12)8-9-4-6-10(13-2)7-5-9/h4-7H,3,8H2,1-2H3
• InChIKey: DOCCDOCIYYDLGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(4-methoxyphenyl)acetate
• IUPAC Traditional name: ethyl 2-(4-methoxyphenyl)acetate
• Synonyms: Ethyl 2-(4-methoxyphenyl)acetate

Database IDs

• CAS Number: 14062-18-1
• MDL Number: MFCD00040760
• PubChem SID: 180679078
• PubChem CID: 84174

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9560249
• LogD (pH = 7.4): 1.9560249
• Log P: 1.9560249
• Molar Refractivity: 53.3465 cm^3
• Polarizability: 20.974285 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%