2-methyl-4-oxo-3-phenyl-4H-chromen-7-yl N,N-dimethylcarbamate

• ChemBase ID: 201606
• Molecular Formular: C19H17NO4
• Molecular Mass: 323.34258
• Monoisotopic Mass: 323.11575803
• SMILES: c1(c(=O)c2c(oc1C)cc(OC(=O)N(C)C)cc2)c1ccccc1
• Canonical SMILES: O=C(N(C)C)Oc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C
• InChI: InChI=1S/C19H17NO4/c1-12-17(13-7-5-4-6-8-13)18(21)15-10-9-14(11-16(15)23-12)24-19(22)20(2)3/h4-11H,1-3H3
• InChIKey: MRGNWNPKQIOMEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-oxo-3-phenyl-4H-chromen-7-yl N,N-dimethylcarbamate
• IUPAC Traditional name: 2-methyl-4-oxo-3-phenylchromen-7-yl N,N-dimethylcarbamate

Database IDs

• PubChem SID: 164257516
• PubChem CID: 908901

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2607086
• LogD (pH = 7.4): 3.2607086
• Log P: 3.2607086
• Molar Refractivity: 91.1618 cm^3
• Polarizability: 34.511833 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds