ethyl 3-(2-methoxyphenyl)-4-oxo-7-[2-oxo-2-(propan-2-yloxy)ethoxy]-4H-chromene-2-carboxylate

• ChemBase ID: 197402
• Molecular Formular: C24H24O8
• Molecular Mass: 440.44256
• Monoisotopic Mass: 440.14711773
• SMILES: c1(c(oc2c(c1=O)ccc(c2)OCC(=O)OC(C)C)C(=O)OCC)c1c(OC)cccc1
• Canonical SMILES: CCOC(=O)c1oc2cc(OCC(=O)OC(C)C)ccc2c(=O)c1c1ccccc1OC
• InChI: InChI=1S/C24H24O8/c1-5-29-24(27)23-21(16-8-6-7-9-18(16)28-4)22(26)17-11-10-15(12-19(17)32-23)30-13-20(25)31-14(2)3/h6-12,14H,5,13H2,1-4H3
• InChIKey: RQXBMEWWPGBQOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-(2-methoxyphenyl)-4-oxo-7-[2-oxo-2-(propan-2-yloxy)ethoxy]-4H-chromene-2-carboxylate
• IUPAC Traditional name: ethyl 7-(2-isopropoxy-2-oxoethoxy)-3-(2-methoxyphenyl)-4-oxochromene-2-carboxylate

Database IDs

• PubChem SID: 164253312
• PubChem CID: 1307108

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.783148
• LogD (pH = 7.4): 3.783148
• Log P: 3.783148
• Molar Refractivity: 115.5107 cm^3
• Polarizability: 44.774372 Å^3
• Polar Surface Area: 97.36 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds