5-(3-hydroxyphenyl)imidazolidine-2,4-dione

• ChemBase ID: 255303
• Molecular Formular: C9H8N2O3
• Molecular Mass: 192.17142
• Monoisotopic Mass: 192.05349213
• SMILES: N1C(=O)C(NC1=O)c1cc(O)ccc1
• Canonical SMILES: O=C1NC(=O)C(N1)c1cccc(c1)O
• InChI: InChI=1S/C9H8N2O3/c12-6-3-1-2-5(4-6)7-8(13)11-9(14)10-7/h1-4,7,12H,(H2,10,11,13,14)
• InChIKey: LWIDUNBRKFUILQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3-hydroxyphenyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-(3-hydroxyphenyl)imidazolidine-2,4-dione
• Synonyms: 5-(3-hydroxyphenyl)imidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD01851040
• PubChem SID: 164311213
• PubChem CID: 265440

CALCULATED PROPERTIES

• Acid pKa: 9.157245
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.18254878
• LogD (pH = 7.4): 0.17514546
• Log P: 0.18264362
• Molar Refractivity: 47.3849 cm^3
• Polarizability: 18.214857 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 213 - 215°C
• Hydrophobicity(logP): -0.14

Product Information

• Purity: 95%