(4-ethylphenyl)(phenyl)methanone

• ChemBase ID: 295936
• Molecular Formular: C15H14O
• Molecular Mass: 210.27106
• Monoisotopic Mass: 210.10446507
• SMILES: C(C)c1ccc(C(=O)c2ccccc2)cc1
• Canonical SMILES: CCc1ccc(cc1)C(=O)c1ccccc1
• InChI: InChI=1S/C15H14O/c1-2-12-8-10-14(11-9-12)15(16)13-6-4-3-5-7-13/h3-11H,2H2,1H3
• InChIKey: IJUPTKULISHEID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-ethylphenyl)(phenyl)methanone
• IUPAC Traditional name: (4-ethylphenyl)(phenyl)methanone
• Synonyms: 4-Ethylbenzophenone; 4-乙基苯并苯基酮

Database IDs

• CAS Number: 18220-90-1
• EC Number: 242-101-4
• MDL Number: MFCD00015177
• Beilstein Number: 1949192
• PubChem SID: 180681467
• PubChem CID: 28968

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3905888
• LogD (pH = 7.4): 4.3905888
• Log P: 4.3905888
• Molar Refractivity: 66.2757 cm^3
• Polarizability: 25.642641 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 150°C/0.5mm
• Flash Point: >110°C(230°F)
• Refractive Index: 1.5935

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 96%