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

• ChemBase ID: 259097
• Molecular Formular: C10H10N2O3
• Molecular Mass: 206.198
• Monoisotopic Mass: 206.06914219
• SMILES: N1C(=O)C(NC1=O)(c1ccc(cc1)O)C
• Canonical SMILES: O=C1NC(=O)NC1(C)c1ccc(cc1)O
• InChI: InChI=1S/C10H10N2O3/c1-10(8(14)11-9(15)12-10)6-2-4-7(13)5-3-6/h2-5,13H,1H3,(H2,11,12,14,15)
• InChIKey: AZPQSNJXATVULS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00455251
• PubChem SID: 164315007
• PubChem CID: 3100378

CALCULATED PROPERTIES

• Acid pKa: 9.305091
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.615342
• LogD (pH = 7.4): 0.61006683
• Log P: 0.6154095
• Molar Refractivity: 52.0982 cm^3
• Polarizability: 20.040075 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 240 - 242°C
• Hydrophobicity(logP): 0.379

Product Information

• Purity: 95%