prop-2-en-1-yl 2-{[3-(7-methoxy-2-oxo-2H-chromen-4-yl)-2-oxo-2H-chromen-7-yl]oxy}acetate

• ChemBase ID: 209908
• Molecular Formular: C24H18O8
• Molecular Mass: 434.39492
• Monoisotopic Mass: 434.10016754
• SMILES: c1(c2c(=O)oc3c(c2)ccc(c3)OCC(=O)OCC=C)c2c(oc(=O)c1)cc(cc2)OC
• Canonical SMILES: C=CCOC(=O)COc1ccc2c(c1)oc(=O)c(c2)c1cc(=O)oc2c1ccc(c2)OC
• InChI: InChI=1S/C24H18O8/c1-3-8-29-23(26)13-30-16-5-4-14-9-19(24(27)32-20(14)11-16)18-12-22(25)31-21-10-15(28-2)6-7-17(18)21/h3-7,9-12H,1,8,13H2,2H3
• InChIKey: WEACQSZVSLZJLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: prop-2-en-1-yl 2-{[3-(7-methoxy-2-oxo-2H-chromen-4-yl)-2-oxo-2H-chromen-7-yl]oxy}acetate
• IUPAC Traditional name: prop-2-en-1-yl 2-{[3-(7-methoxy-2-oxochromen-4-yl)-2-oxochromen-7-yl]oxy}acetate

Database IDs

• PubChem SID: 164265818
• PubChem CID: 1788687

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.9485857
• LogD (pH = 7.4): 2.9485857
• Log P: 2.9485857
• Molar Refractivity: 113.6749 cm^3
• Polarizability: 43.633587 Å^3
• Polar Surface Area: 97.36 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds