8-(acetyloxy)-4-(8-methoxy-2-oxo-2H-chromen-3-yl)-2-oxo-2H-chromen-7-yl acetate

• ChemBase ID: 203537
• Molecular Formular: C23H16O9
• Molecular Mass: 436.36774
• Monoisotopic Mass: 436.07943209
• SMILES: c1(c2c(=O)oc3c(c2)cccc3OC)c2c(c(c(OC(=O)C)cc2)OC(=O)C)oc(=O)c1
• Canonical SMILES: COc1cccc2c1oc(=O)c(c2)c1cc(=O)oc2c1ccc(c2OC(=O)C)OC(=O)C
• InChI: InChI=1S/C23H16O9/c1-11(24)29-18-8-7-14-15(10-19(26)31-21(14)22(18)30-12(2)25)16-9-13-5-4-6-17(28-3)20(13)32-23(16)27/h4-10H,1-3H3
• InChIKey: UKFWMVDQTJDVPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(acetyloxy)-4-(8-methoxy-2-oxo-2H-chromen-3-yl)-2-oxo-2H-chromen-7-yl acetate
• IUPAC Traditional name: 8-(acetyloxy)-4-(8-methoxy-2-oxochromen-3-yl)-2-oxochromen-7-yl acetate

Database IDs

• PubChem SID: 164259447
• PubChem CID: 1766578

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.9656518
• LogD (pH = 7.4): 1.9656518
• Log P: 1.9656518
• Molar Refractivity: 109.4601 cm^3
• Polarizability: 42.149853 Å^3
• Polar Surface Area: 114.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds