(2Z)-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 3,4,5-trimethoxybenzoate

• ChemBase ID: 199512
• Molecular Formular: C28H24O8
• Molecular Mass: 488.48536
• Monoisotopic Mass: 488.14711773
• SMILES: c12c(O/C(=C\C=C\c3c(OC)cccc3)/C1=O)cc(OC(=O)c1cc(c(c(c1)OC)OC)OC)cc2
• Canonical SMILES: COc1cc(cc(c1OC)OC)C(=O)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1OC)/C2=O
• InChI: InChI=1S/C28H24O8/c1-31-21-10-6-5-8-17(21)9-7-11-22-26(29)20-13-12-19(16-23(20)36-22)35-28(30)18-14-24(32-2)27(34-4)25(15-18)33-3/h5-16H,1-4H3/b9-7+,22-11-
• InChIKey: UETBDBXPEFLFGW-TUVYINGVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 3,4,5-trimethoxybenzoate
• IUPAC Traditional name: (2Z)-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-3-oxo-1-benzofuran-6-yl 3,4,5-trimethoxybenzoate

Database IDs

• PubChem SID: 164255422
• PubChem CID: 1803762

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 4.7602406
• LogD (pH = 7.4): 4.7602406
• Log P: 4.7602406
• Molar Refractivity: 135.0206 cm^3
• Polarizability: 50.95725 Å^3
• Polar Surface Area: 89.52 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds