4-(7-ethoxy-1-benzofuran-2-yl)-6-methyl-2H-chromen-2-one

• ChemBase ID: 201135
• Molecular Formular: C20H16O4
• Molecular Mass: 320.33864
• Monoisotopic Mass: 320.10485899
• SMILES: c1(c2c3c(oc(=O)c2)ccc(c3)C)oc2c(c1)cccc2OCC
• Canonical SMILES: CCOc1cccc2c1oc(c2)c1cc(=O)oc2c1cc(C)cc2
• InChI: InChI=1S/C20H16O4/c1-3-22-17-6-4-5-13-10-18(24-20(13)17)15-11-19(21)23-16-8-7-12(2)9-14(15)16/h4-11H,3H2,1-2H3
• InChIKey: LSYOGFVYQKFYIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(7-ethoxy-1-benzofuran-2-yl)-6-methyl-2H-chromen-2-one
• IUPAC Traditional name: 4-(7-ethoxy-1-benzofuran-2-yl)-6-methylchromen-2-one

Database IDs

• PubChem SID: 164257045
• PubChem CID: 908739

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.0082407
• LogD (pH = 7.4): 4.0082407
• Log P: 4.0082407
• Molar Refractivity: 100.0729 cm^3
• Polarizability: 35.79472 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds