ethyl 3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate

• ChemBase ID: 82128
• Molecular Formular: C15H18O6
• Molecular Mass: 294.29982
• Monoisotopic Mass: 294.1103383
• SMILES: O(c1c(cc(cc1)/C=C/C(=O)OCC)OC)CC(=O)OC
• Canonical SMILES: CCOC(=O)/C=C/c1ccc(c(c1)OC)OCC(=O)OC
• InChI: InChI=1S/C15H18O6/c1-4-20-14(16)8-6-11-5-7-12(13(9-11)18-2)21-10-15(17)19-3/h5-9H,4,10H2,1-3H3
• InChIKey: GIJJASFJRAJLCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
• IUPAC Traditional name: ethyl 3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
• Synonyms: ethyl 3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]acrylate

Database IDs

• MDL Number: MFCD01312577
• PubChem SID: 162069247
• PubChem CID: 5708916

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1806564
• LogD (pH = 7.4): 2.1806564
• Log P: 2.1806564
• Molar Refractivity: 76.3577 cm^3
• Polarizability: 29.665895 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true