1-(2-ethoxyphenyl)imidazolidine-2,4,5-trione

• ChemBase ID: 253430
• Molecular Formular: C11H10N2O4
• Molecular Mass: 234.2081
• Monoisotopic Mass: 234.06405681
• SMILES: N1(C(=O)NC(=O)C1=O)c1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1N1C(=O)NC(=O)C1=O
• InChI: InChI=1S/C11H10N2O4/c1-2-17-8-6-4-3-5-7(8)13-10(15)9(14)12-11(13)16/h3-6H,2H2,1H3,(H,12,14,16)
• InChIKey: OLEOWLSHAJSJFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-ethoxyphenyl)imidazolidine-2,4,5-trione
• IUPAC Traditional name: 1-(2-ethoxyphenyl)imidazolidine-2,4,5-trione
• Synonyms: 1-(2-ethoxyphenyl)imidazolidine-2,4,5-trione

Database IDs

• MDL Number: MFCD09040501
• PubChem SID: 164309340
• PubChem CID: 16227814

CALCULATED PROPERTIES

• Acid pKa: 6.748665
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8535416
• LogD (pH = 7.4): 0.15990892
• Log P: 0.8770938
• Molar Refractivity: 57.3117 cm^3
• Polarizability: 22.057737 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.163

Product Information

• Purity: 95%