5-[(4-hydroxyphenyl)methyl]imidazolidine-2,4-dione

• ChemBase ID: 269831
• Molecular Formular: C10H10N2O3
• Molecular Mass: 206.198
• Monoisotopic Mass: 206.06914219
• SMILES: N1C(=O)NC(C1=O)Cc1ccc(cc1)O
• Canonical SMILES: O=C1NC(=O)NC1Cc1ccc(cc1)O
• InChI: InChI=1S/C10H10N2O3/c13-7-3-1-6(2-4-7)5-8-9(14)12-10(15)11-8/h1-4,8,13H,5H2,(H2,11,12,14,15)
• InChIKey: GLLIXWMNULCIKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00022400
• PubChem SID: 164325741
• PubChem CID: 243294

CALCULATED PROPERTIES

• Acid pKa: 9.36467
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.47124594
• LogD (pH = 7.4): 0.4666438
• Log P: 0.47130483
• Molar Refractivity: 52.1399 cm^3
• Polarizability: 20.043985 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 267 - 269°C
• Hydrophobicity(logP): -0.421

Product Information

• Purity: 95%