3-(7-ethoxy-2-oxo-2H-chromen-4-yl)-8-methoxy-2H-chromen-2-one

• ChemBase ID: 223253
• Molecular Formular: C21H16O6
• Molecular Mass: 364.34814
• Monoisotopic Mass: 364.09468823
• SMILES: c1(c2c(=O)oc3c(c2)cccc3OC)c2c(oc(=O)c1)cc(cc2)OCC
• Canonical SMILES: CCOc1ccc2c(c1)oc(=O)cc2c1cc2cccc(c2oc1=O)OC
• InChI: InChI=1S/C21H16O6/c1-3-25-13-7-8-14-15(11-19(22)26-18(14)10-13)16-9-12-5-4-6-17(24-2)20(12)27-21(16)23/h4-11H,3H2,1-2H3
• InChIKey: PZHWZAVISINMSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(7-ethoxy-2-oxo-2H-chromen-4-yl)-8-methoxy-2H-chromen-2-one
• IUPAC Traditional name: 3-(7-ethoxy-2-oxochromen-4-yl)-8-methoxychromen-2-one

Database IDs

• PubChem SID: 164279163
• PubChem CID: 7198228

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9502666
• LogD (pH = 7.4): 2.9502666
• Log P: 2.9502666
• Molar Refractivity: 98.4071 cm^3
• Polarizability: 37.5543 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds