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

• ChemBase ID: 203799
• Molecular Formular: C21H14O6
• Molecular Mass: 362.33226
• Monoisotopic Mass: 362.07903817
• SMILES: c1(c2c(=O)oc3c(c2)cccc3)c2c(c(c(OC(=O)C)cc2)C)oc(=O)c1
• Canonical SMILES: CC(=O)Oc1ccc2c(c1C)oc(=O)cc2c1cc2ccccc2oc1=O
• InChI: InChI=1S/C21H14O6/c1-11-17(25-12(2)22)8-7-14-15(10-19(23)27-20(11)14)16-9-13-5-3-4-6-18(13)26-21(16)24/h3-10H,1-2H3
• InChIKey: ISHZXKLGNJCWHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164259709
• PubChem CID: 1767032

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0294836
• LogD (pH = 7.4): 3.0294836
• Log P: 3.0294836
• Molar Refractivity: 96.9057 cm^3
• Polarizability: 36.8754 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds