5-methoxy-3-phenylimidazolidine-2,4-dione

• ChemBase ID: 71237
• Molecular Formular: C10H10N2O3
• Molecular Mass: 206.198
• Monoisotopic Mass: 206.06914219
• SMILES: C1(=O)N(C(=O)C(N1)OC)c1ccccc1
• Canonical SMILES: COC1NC(=O)N(C1=O)c1ccccc1
• InChI: InChI=1S/C10H10N2O3/c1-15-8-9(13)12(10(14)11-8)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,11,14)
• InChIKey: SWWKWILTZLPKMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-3-phenylimidazolidine-2,4-dione
• IUPAC Traditional name: 5-methoxy-3-phenylimidazolidine-2,4-dione
• Synonyms: 5-Methoxy-3-phenylimidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD22378812
• PubChem SID: 162036827
• PubChem CID: 13258376

CALCULATED PROPERTIES

• Acid pKa: 13.810336
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7858009
• LogD (pH = 7.4): 0.7858007
• Log P: 0.7858009
• Molar Refractivity: 51.67 cm^3
• Polarizability: 20.11092 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%