5-(2-methoxy-5-methylphenyl)-5-methylimidazolidine-2,4-dione

• ChemBase ID: 238957
• Molecular Formular: C12H14N2O3
• Molecular Mass: 234.25116
• Monoisotopic Mass: 234.10044232
• SMILES: C1(C(=O)NC(=O)N1)(c1c(ccc(c1)C)OC)C
• Canonical SMILES: COc1ccc(cc1C1(C)NC(=O)NC1=O)C
• InChI: InChI=1S/C12H14N2O3/c1-7-4-5-9(17-3)8(6-7)12(2)10(15)13-11(16)14-12/h4-6H,1-3H3,(H2,13,14,15,16)
• InChIKey: BIAZNOBBVSJKQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09736309
• PubChem SID: 164294867
• PubChem CID: 16789543

CALCULATED PROPERTIES

• Acid pKa: 9.813155
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2747041
• LogD (pH = 7.4): 1.27307
• Log P: 1.274725
• Molar Refractivity: 61.6217 cm^3
• Polarizability: 23.69428 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.464

Product Information

• Purity: 95%