3-(2-methoxyphenyl)-4-oxo-4H-chromen-7-yl N,N-dimethylcarbamate

• ChemBase ID: 199789
• Molecular Formular: C19H17NO5
• Molecular Mass: 339.34198
• Monoisotopic Mass: 339.11067265
• SMILES: c1(c(=O)c2c(oc1)cc(OC(=O)N(C)C)cc2)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1coc2c(c1=O)ccc(c2)OC(=O)N(C)C
• InChI: InChI=1S/C19H17NO5/c1-20(2)19(22)25-12-8-9-14-17(10-12)24-11-15(18(14)21)13-6-4-5-7-16(13)23-3/h4-11H,1-3H3
• InChIKey: ALXWPLAQZYCPNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164255699
• PubChem CID: 908265

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9009647
• LogD (pH = 7.4): 2.9009647
• Log P: 2.9009647
• Molar Refractivity: 91.8059 cm^3
• Polarizability: 35.20442 Å^3
• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds