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

• ChemBase ID: 202557
• Molecular Formular: C22H14O8
• Molecular Mass: 406.34176
• Monoisotopic Mass: 406.06886741
• SMILES: c1(c2c(=O)oc3c(c2)cccc3)c2c(c(c(OC(=O)C)cc2)OC(=O)C)oc(=O)c1
• Canonical SMILES: CC(=O)Oc1c(ccc2c1oc(=O)cc2c1cc2ccccc2oc1=O)OC(=O)C
• InChI: InChI=1S/C22H14O8/c1-11(23)27-18-8-7-14-15(10-19(25)30-20(14)21(18)28-12(2)24)16-9-13-5-3-4-6-17(13)29-22(16)26/h3-10H,1-2H3
• InChIKey: IYHJFXSIVSANDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164258467
• PubChem CID: 1764209

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.123323
• LogD (pH = 7.4): 2.123323
• Log P: 2.123323
• Molar Refractivity: 102.9969 cm^3
• Polarizability: 39.60036 Å^3
• Polar Surface Area: 105.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds