ethyl 3-[7-(2-ethoxy-2-oxoethoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate

• ChemBase ID: 195845
• Molecular Formular: C19H22O7
• Molecular Mass: 362.37378
• Monoisotopic Mass: 362.13655304
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)OCC(=O)OCC)CCC(=O)OCC
• Canonical SMILES: CCOC(=O)CCc1c(=O)oc2c(c1C)ccc(c2)OCC(=O)OCC
• InChI: InChI=1S/C19H22O7/c1-4-23-17(20)9-8-15-12(3)14-7-6-13(10-16(14)26-19(15)22)25-11-18(21)24-5-2/h6-7,10H,4-5,8-9,11H2,1-3H3
• InChIKey: QZIJLEMVJPFMQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-[7-(2-ethoxy-2-oxoethoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate
• IUPAC Traditional name: ethyl 3-[7-(2-ethoxy-2-oxoethoxy)-4-methyl-2-oxochromen-3-yl]propanoate

Database IDs

• PubChem SID: 164251755
• PubChem CID: 1799511

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3729162
• LogD (pH = 7.4): 2.3729162
• Log P: 2.3729162
• Molar Refractivity: 92.6383 cm^3
• Polarizability: 36.387417 Å^3
• Polar Surface Area: 88.13 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds