ethyl 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl carbonate

• ChemBase ID: 201673
• Molecular Formular: C19H16O6
• Molecular Mass: 340.32674
• Monoisotopic Mass: 340.09468823
• SMILES: c1(c(=O)c2c(oc1)cc(OC(=O)OCC)cc2)c1ccc(cc1)OC
• Canonical SMILES: CCOC(=O)Oc1ccc2c(c1)occ(c2=O)c1ccc(cc1)OC
• InChI: InChI=1S/C19H16O6/c1-3-23-19(21)25-14-8-9-15-17(10-14)24-11-16(18(15)20)12-4-6-13(22-2)7-5-12/h4-11H,3H2,1-2H3
• InChIKey: WUKMQLRVZIRZAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl carbonate
• IUPAC Traditional name: ethyl 3-(4-methoxyphenyl)-4-oxochromen-7-yl carbonate

Database IDs

• PubChem SID: 164257583
• PubChem CID: 908924

CALCULATED PROPERTIES

• Molar Refractivity: 89.708 cm^3
• Polarizability: 34.768333 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.7632573
• LogD (pH = 7.4): 3.7632573
• Log P: 3.7632573

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds