3-(2,5-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl N,N-dimethylcarbamate

• ChemBase ID: 212761
• Molecular Formular: C20H19NO6
• Molecular Mass: 369.36796
• Monoisotopic Mass: 369.12123733
• SMILES: c1(c(=O)oc2c(c1)ccc(OC(=O)N(C)C)c2)c1c(ccc(c1)OC)OC
• Canonical SMILES: COc1ccc(cc1c1cc2ccc(cc2oc1=O)OC(=O)N(C)C)OC
• InChI: InChI=1S/C20H19NO6/c1-21(2)20(23)26-14-6-5-12-9-16(19(22)27-18(12)11-14)15-10-13(24-3)7-8-17(15)25-4/h5-11H,1-4H3
• InChIKey: PZXMMVKFUJEXAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,5-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl N,N-dimethylcarbamate
• IUPAC Traditional name: 3-(2,5-dimethoxyphenyl)-2-oxochromen-7-yl N,N-dimethylcarbamate

Database IDs

• PubChem SID: 164268671
• PubChem CID: 4965815

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8571725
• LogD (pH = 7.4): 2.8571725
• Log P: 2.8571725
• Molar Refractivity: 98.5296 cm^3
• Polarizability: 37.82548 Å^3
• Polar Surface Area: 74.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds