propan-2-yl 2-{[3-(naphthalen-2-yloxy)-4-oxo-4H-chromen-7-yl]oxy}acetate

• ChemBase ID: 190704
• Molecular Formular: C24H20O6
• Molecular Mass: 404.412
• Monoisotopic Mass: 404.12598836
• SMILES: c1(c(=O)c2c(oc1)cc(OCC(=O)OC(C)C)cc2)Oc1cc2c(cc1)cccc2
• Canonical SMILES: CC(OC(=O)COc1ccc2c(c1)occ(c2=O)Oc1ccc2c(c1)cccc2)C
• InChI: InChI=1S/C24H20O6/c1-15(2)29-23(25)14-27-18-9-10-20-21(12-18)28-13-22(24(20)26)30-19-8-7-16-5-3-4-6-17(16)11-19/h3-13,15H,14H2,1-2H3
• InChIKey: GZUXBFXXSRFOOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propan-2-yl 2-{[3-(naphthalen-2-yloxy)-4-oxo-4H-chromen-7-yl]oxy}acetate
• IUPAC Traditional name: isopropyl 2-{[3-(naphthalen-2-yloxy)-4-oxochromen-7-yl]oxy}acetate

Database IDs

• PubChem SID: 164246614
• PubChem CID: 1045426

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.4555745
• LogD (pH = 7.4): 4.4555745
• Log P: 4.4555745
• Molar Refractivity: 110.4499 cm^3
• Polarizability: 44.019775 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds