(2-phenoxyphenyl)urea

• ChemBase ID: 271192
• Molecular Formular: C13H12N2O2
• Molecular Mass: 228.24658
• Monoisotopic Mass: 228.08987763
• SMILES: C(=O)(Nc1c(Oc2ccccc2)cccc1)N
• Canonical SMILES: NC(=O)Nc1ccccc1Oc1ccccc1
• InChI: InChI=1S/C13H12N2O2/c14-13(16)15-11-8-4-5-9-12(11)17-10-6-2-1-3-7-10/h1-9H,(H3,14,15,16)
• InChIKey: LRKNHSZSXFGSQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenoxyphenyl)urea
• IUPAC Traditional name: 2-phenoxyphenylurea
• Synonyms: (2-phenoxyphenyl)urea

Database IDs

• MDL Number: MFCD09816276
• PubChem SID: 164327102
• PubChem CID: 22011344

CALCULATED PROPERTIES

• Acid pKa: 11.998189
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 2.3776977
• LogD (pH = 7.4): 2.3776875
• Log P: 2.377698
• Molar Refractivity: 65.8385 cm^3
• Polarizability: 24.82712 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182 - 184°C
• Hydrophobicity(logP): 2.943

Product Information

• Purity: 95%