6-ethyl-4-(7-methoxy-1-benzofuran-2-yl)-2H-chromen-2-one

• ChemBase ID: 201524
• Molecular Formular: C20H16O4
• Molecular Mass: 320.33864
• Monoisotopic Mass: 320.10485899
• SMILES: c1(c2c3c(oc(=O)c2)ccc(c3)CC)oc2c(c1)cccc2OC
• Canonical SMILES: CCc1ccc2c(c1)c(cc(=O)o2)c1oc2c(c1)cccc2OC
• InChI: InChI=1S/C20H16O4/c1-3-12-7-8-16-14(9-12)15(11-19(21)23-16)18-10-13-5-4-6-17(22-2)20(13)24-18/h4-11H,3H2,1-2H3
• InChIKey: RFTWUXJLUHSONV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-4-(7-methoxy-1-benzofuran-2-yl)-2H-chromen-2-one
• IUPAC Traditional name: 6-ethyl-4-(7-methoxy-1-benzofuran-2-yl)chromen-2-one

Database IDs

• PubChem SID: 164257434
• PubChem CID: 908886

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.0960016
• LogD (pH = 7.4): 4.0960016
• Log P: 4.0960016
• Molar Refractivity: 99.9253 cm^3
• Polarizability: 35.794006 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