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

• ChemBase ID: 200109
• Molecular Formular: C19H17NO6
• Molecular Mass: 355.34138
• Monoisotopic Mass: 355.10558727
• SMILES: c1(c(=O)c2c(oc1)cc(OC(=O)N(C)C)cc2)Oc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1Oc1coc2c(c1=O)ccc(c2)OC(=O)N(C)C
• InChI: InChI=1S/C19H17NO6/c1-20(2)19(22)25-12-8-9-13-16(10-12)24-11-17(18(13)21)26-15-7-5-4-6-14(15)23-3/h4-11H,1-3H3
• InChIKey: RPOQXJSBDNFTML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164256019
• PubChem CID: 1523024

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.789905
• LogD (pH = 7.4): 2.789905
• Log P: 2.789905
• Molar Refractivity: 93.5811 cm^3
• Polarizability: 35.83947 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