(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-methoxy-7-methyl-2,3-dihydro-1-benzofuran-3-one

• ChemBase ID: 208582
• Molecular Formular: C19H18O5
• Molecular Mass: 326.34322
• Monoisotopic Mass: 326.11542368
• SMILES: c12O/C(=C\c3c(cc(cc3)OC)OC)/C(=O)c1ccc(c2C)OC
• Canonical SMILES: COc1ccc(c(c1)OC)/C=C/1\Oc2c(C1=O)ccc(c2C)OC
• InChI: InChI=1S/C19H18O5/c1-11-15(22-3)8-7-14-18(20)17(24-19(11)14)9-12-5-6-13(21-2)10-16(12)23-4/h5-10H,1-4H3/b17-9-
• InChIKey: QWCRALIAPGBZHO-MFOYZWKCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-methoxy-7-methyl-2,3-dihydro-1-benzofuran-3-one
• IUPAC Traditional name: (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-methoxy-7-methyl-1-benzofuran-3-one

Database IDs

• PubChem SID: 164264492
• PubChem CID: 1784693

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.242682
• LogD (pH = 7.4): 3.242682
• Log P: 3.242682
• Molar Refractivity: 91.4771 cm^3
• Polarizability: 34.594135 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds