3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-7-yl N,N-dimethylcarbamate

• ChemBase ID: 211152
• Molecular Formular: C21H21NO6
• Molecular Mass: 383.39454
• Monoisotopic Mass: 383.1368874
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)OC(=O)N(C)C)c1c(ccc(c1)OC)OC
• Canonical SMILES: COc1ccc(cc1c1c(=O)oc2c(c1C)ccc(c2)OC(=O)N(C)C)OC
• InChI: InChI=1S/C21H21NO6/c1-12-15-8-6-14(27-21(24)22(2)3)11-18(15)28-20(23)19(12)16-10-13(25-4)7-9-17(16)26-5/h6-11H,1-5H3
• InChIKey: NHTDUXSQDZDSKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-7-yl N,N-dimethylcarbamate
• IUPAC Traditional name: 3-(2,5-dimethoxyphenyl)-4-methyl-2-oxochromen-7-yl N,N-dimethylcarbamate

Database IDs

• PubChem SID: 164267062
• PubChem CID: 4837694

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.156567
• LogD (pH = 7.4): 3.156567
• Log P: 3.156567
• Molar Refractivity: 102.8116 cm^3
• Polarizability: 39.659847 Å^3
• Polar Surface Area: 74.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds