2-methoxy-4-{[(2Z)-6-methoxy-3-oxo-2,3-dihydro-1-benzofuran-2-ylidene]methyl}phenyl acetate

• ChemBase ID: 219071
• Molecular Formular: C19H16O6
• Molecular Mass: 340.32674
• Monoisotopic Mass: 340.09468823
• SMILES: C\1(=C\c2cc(c(OC(=O)C)cc2)OC)/C(=O)c2c(O1)cc(cc2)OC
• Canonical SMILES: COc1cc(ccc1OC(=O)C)/C=C/1\Oc2c(C1=O)ccc(c2)OC
• InChI: InChI=1S/C19H16O6/c1-11(20)24-15-7-4-12(8-17(15)23-3)9-18-19(21)14-6-5-13(22-2)10-16(14)25-18/h4-10H,1-3H3/b18-9-
• InChIKey: QIPACIOUKIEESI-NVMNQCDNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-{[(2Z)-6-methoxy-3-oxo-2,3-dihydro-1-benzofuran-2-ylidene]methyl}phenyl acetate
• IUPAC Traditional name: 2-methoxy-4-{[(2Z)-6-methoxy-3-oxo-1-benzofuran-2-ylidene]methyl}phenyl acetate

Database IDs

• PubChem SID: 164274981
• PubChem CID: 7198146

CALCULATED PROPERTIES

• Molar Refractivity: 91.1051 cm^3
• Polarizability: 34.758617 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.4941928
• LogD (pH = 7.4): 2.4941928
• Log P: 2.4941928

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds