5-(4-ethoxyphenyl)-5-methylimidazolidine-2,4-dione

• ChemBase ID: 251356
• Molecular Formular: C12H14N2O3
• Molecular Mass: 234.25116
• Monoisotopic Mass: 234.10044232
• SMILES: N1C(=O)C(NC1=O)(c1ccc(cc1)OCC)C
• Canonical SMILES: CCOc1ccc(cc1)C1(C)NC(=O)NC1=O
• InChI: InChI=1S/C12H14N2O3/c1-3-17-9-6-4-8(5-7-9)12(2)10(15)13-11(16)14-12/h4-7H,3H2,1-2H3,(H2,13,14,15,16)
• InChIKey: VAHWJQLCMYETMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-ethoxyphenyl)-5-methylimidazolidine-2,4-dione
• IUPAC Traditional name: 5-(4-ethoxyphenyl)-5-methylimidazolidine-2,4-dione
• Synonyms: 5-(4-ethoxyphenyl)-5-methylimidazolidine-2,4-dione

Database IDs

• CAS Number: 68524-15-2
• MDL Number: MFCD00440311
• PubChem SID: 164307266
• PubChem CID: 612934

CALCULATED PROPERTIES

• Acid pKa: 9.814693
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1180907
• LogD (pH = 7.4): 1.1164623
• Log P: 1.1181115
• Molar Refractivity: 61.3291 cm^3
• Polarizability: 23.768688 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 190 - 192°C
• Hydrophobicity(logP): 1.494

Product Information

• Purity: 95%