(2-methyl-5-nitrophenyl)(phenyl)methanone

• ChemBase ID: 173861
• Molecular Formular: C14H11NO3
• Molecular Mass: 241.24204
• Monoisotopic Mass: 241.07389322
• SMILES: c1ccccc1C(=O)c1cc(ccc1C)[N+](=O)[O-]
• Canonical SMILES: Cc1ccc(cc1C(=O)c1ccccc1)[N+](=O)[O-]
• InChI: InChI=1S/C14H11NO3/c1-10-7-8-12(15(17)18)9-13(10)14(16)11-5-3-2-4-6-11/h2-9H,1H3
• InChIKey: MUUCOWULQJLJNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methyl-5-nitrophenyl)(phenyl)methanone
• IUPAC Traditional name: (2-methyl-5-nitrophenyl)(phenyl)methanone
• Synonyms: (2-Methyl-5-nitrophenyl)phenyl-methanone; 2-Methyl-5-nitrobenzophenone

Database IDs

• CAS Number: 39272-00-9
• PubChem SID: 164229771
• PubChem CID: 4103528

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8860044
• LogD (pH = 7.4): 3.8860044
• Log P: 3.8860044
• Molar Refractivity: 68.9994 cm^3
• Polarizability: 25.596004 Å^3
• Polar Surface Area: 62.89 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ether; Ethyl Acetate
• Apperance: Light Yellow Solid
• Melting Point: 72-73°C