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

• ChemBase ID: 223684
• Molecular Formular: C18H15NO4
• Molecular Mass: 309.316
• Monoisotopic Mass: 309.10010797
• SMILES: c1(=O)c(cc2c(o1)cc(OC(=O)N(C)C)cc2)c1ccccc1
• Canonical SMILES: CN(C(=O)Oc1ccc2c(c1)oc(=O)c(c2)c1ccccc1)C
• InChI: InChI=1S/C18H15NO4/c1-19(2)18(21)22-14-9-8-13-10-15(12-6-4-3-5-7-12)17(20)23-16(13)11-14/h3-11H,1-2H3
• InChIKey: GYOONAXLKYIKJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164279594
• PubChem CID: 7198378

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.172515
• LogD (pH = 7.4): 3.172515
• Log P: 3.172515
• Molar Refractivity: 85.6032 cm^3
• Polarizability: 32.760204 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