5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione

• ChemBase ID: 243563
• Molecular Formular: C13H16N2O3
• Molecular Mass: 248.27774
• Monoisotopic Mass: 248.11609238
• SMILES: N1C(=O)NC(C1=O)(CCc1ccc(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1)CCC1(C)NC(=O)NC1=O
• InChI: InChI=1S/C13H16N2O3/c1-13(11(16)14-12(17)15-13)8-7-9-3-5-10(18-2)6-4-9/h3-6H,7-8H2,1-2H3,(H2,14,15,16,17)
• InChIKey: HYRDVXQOZUFAFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
• IUPAC Traditional name: 5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
• Synonyms: 5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD01831034
• PubChem SID: 164299473
• PubChem CID: 2999262

CALCULATED PROPERTIES

• Molar Refractivity: 65.9365 cm^3
• Polarizability: 25.606459 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 10.188117
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4945246
• LogD (pH = 7.4): 1.4938346
• Log P: 1.4945334

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.213

Product Information

• Purity: 95%