1-(4-hydroxyphenyl)imidazolidine-2,4-dione

• ChemBase ID: 260307
• Molecular Formular: C9H8N2O3
• Molecular Mass: 192.17142
• Monoisotopic Mass: 192.05349213
• SMILES: C1(=O)NC(=O)CN1c1ccc(cc1)O
• Canonical SMILES: O=C1NC(=O)CN1c1ccc(cc1)O
• InChI: InChI=1S/C9H8N2O3/c12-7-3-1-6(2-4-7)11-5-8(13)10-9(11)14/h1-4,12H,5H2,(H,10,13,14)
• InChIKey: AJSRHILLPJYTMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-hydroxyphenyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 1-(4-hydroxyphenyl)imidazolidine-2,4-dione
• Synonyms: 1-(4-hydroxyphenyl)imidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD00456557
• PubChem SID: 164316217
• PubChem CID: 700885

CALCULATED PROPERTIES

• Acid pKa: 8.865559
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.12766336
• LogD (pH = 7.4): 0.11332811
• Log P: 0.12784873
• Molar Refractivity: 47.7013 cm^3
• Polarizability: 18.205545 Å^3
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 325 - 327°C
• Hydrophobicity(logP): 0.167

Product Information

• Purity: 95%