(2-phenylphenyl)urea

• ChemBase ID: 259100
• Molecular Formular: C13H12N2O
• Molecular Mass: 212.24718
• Monoisotopic Mass: 212.09496301
• SMILES: C(=O)(Nc1c(c2ccccc2)cccc1)N
• Canonical SMILES: NC(=O)Nc1ccccc1c1ccccc1
• InChI: InChI=1S/C13H12N2O/c14-13(16)15-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H3,14,15,16)
• InChIKey: HWLYIRABQGWLBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenylphenyl)urea
• IUPAC Traditional name: 2-phenylphenylurea
• Synonyms: (2-phenylphenyl)urea

Database IDs

• MDL Number: MFCD09812205
• PubChem SID: 164315010
• PubChem CID: 302971

CALCULATED PROPERTIES

• Acid pKa: 13.084522
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 2.524636
• LogD (pH = 7.4): 2.524635
• Log P: 2.524636
• Molar Refractivity: 64.7339 cm^3
• Polarizability: 25.499186 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155 - 157°C
• Hydrophobicity(logP): 2.733

Product Information

• Purity: 95%