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

• ChemBase ID: 195279
• Molecular Formular: C20H16O5
• Molecular Mass: 336.33804
• Monoisotopic Mass: 336.09977361
• SMILES: c1(c2c3c(oc(=O)c2)cc(cc3)OC)oc2c(c1)cccc2OCC
• Canonical SMILES: CCOc1cccc2c1oc(c2)c1cc(=O)oc2c1ccc(c2)OC
• InChI: InChI=1S/C20H16O5/c1-3-23-16-6-4-5-12-9-17(25-20(12)16)15-11-19(21)24-18-10-13(22-2)7-8-14(15)18/h4-11H,3H2,1-2H3
• InChIKey: DTYXUBSCTOWDFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164251189
• PubChem CID: 907127

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3371482
• LogD (pH = 7.4): 3.3371482
• Log P: 3.3371482
• Molar Refractivity: 101.4949 cm^3
• Polarizability: 36.5399 Å^3
• Polar Surface Area: 57.9 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds