ethyl 3-(3,4,5-trimethoxyphenyl)propanoate

• ChemBase ID: 295248
• Molecular Formular: C14H20O5
• Molecular Mass: 268.3056
• Monoisotopic Mass: 268.13107374
• SMILES: CCOC(=O)CCc1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: CCOC(=O)CCc1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C14H20O5/c1-5-19-13(15)7-6-10-8-11(16-2)14(18-4)12(9-10)17-3/h8-9H,5-7H2,1-4H3
• InChIKey: AYBWQZGGKFGQLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-(3,4,5-trimethoxyphenyl)propanoate
• IUPAC Traditional name: ethyl 3-(3,4,5-trimethoxyphenyl)propanoate
• Synonyms: 3-(3,4,5-Trimethoxyphenyl)propionic acid ethyl ester; Ethyl 3-(3,4,5-trimethoxyphenyl)propionate; 3-(3,4,5-三甲氧基苯基)丙酸乙酯

Database IDs

• CAS Number: 70311-20-5
• EC Number: 274-553-3
• MDL Number: MFCD00017522
• PubChem SID: 180680779
• PubChem CID: 622665

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.085251
• LogD (pH = 7.4): 2.085251
• Log P: 2.085251
• Molar Refractivity: 70.8739 cm^3
• Polarizability: 27.883175 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%