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

• ChemBase ID: 200559
• Molecular Formular: C19H16O7
• Molecular Mass: 356.32614
• Monoisotopic Mass: 356.08960285
• SMILES: c1(c(=O)c2c(oc1)cc(OC(=O)OCC)cc2)Oc1cc(OC)ccc1
• Canonical SMILES: CCOC(=O)Oc1ccc2c(c1)occ(c2=O)Oc1cccc(c1)OC
• InChI: InChI=1S/C19H16O7/c1-3-23-19(21)26-14-7-8-15-16(10-14)24-11-17(18(15)20)25-13-6-4-5-12(9-13)22-2/h4-11H,3H2,1-2H3
• InChIKey: IRMGCMKVZPPTGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164256469
• PubChem CID: 1523008

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.6521976
• LogD (pH = 7.4): 3.6521976
• Log P: 3.6521976
• Molar Refractivity: 91.4832 cm^3
• Polarizability: 35.409714 Å^3
• Polar Surface Area: 80.29 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds