Cas no 125078-62-8 (Methanone,1,1'-(1,3-phenylene)bis[1-(methylphenyl)-)

Methanone,1,1'-(1,3-phenylene)bis[1-(methylphenyl)- structure
125078-62-8 structure
Product Name:Methanone,1,1'-(1,3-phenylene)bis[1-(methylphenyl)-
CAS No:125078-62-8
MF:C22H18O2
MW:314.377126216888
CID:162350
PubChem ID:1247781
Update Time:2025-04-19

Methanone,1,1'-(1,3-phenylene)bis[1-(methylphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Phenylenebis[(2-methylphenyl)methanone]
    • LogP
    • [3-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
    • SR-01000514108-1
    • FIALLYBQVILKOF-UHFFFAOYSA-N
    • Methanone, 1,3-phenylenebis[(methylphenyl)-
    • Methanone, 1,1'-(1,3-phenylene)bis(1-(methylphenyl)-
    • Oprea1_098339
    • NCGC00323801-01
    • SMSF0005919
    • 1,3-Phenylenebis(methylphenyl)methone
    • 1,3-phenylenebis[(4-methylphenyl)methanone]
    • (1,3-Phenylene)bis[(4-methylphenyl)methanone]
    • BIM-0005603.P001
    • SCHEMBL8549972
    • CBMicro_005589
    • DTXSID60925008
    • [3-(4-METHYLBENZOYL)PHENYL](4-METHYLPHENYL)METHANONE
    • AKOS001711386
    • 1,3-di(4-methylbenzoyl)benzene
    • Methanone, 1,3-phenylenebis((methylphenyl)-
    • 125078-62-8
    • EU-0051329
    • SR-01000514108
    • CB07696
    • AB01227062-03
    • Methanone,1,1'-(1,3-phenylene)bis[1-(methylphenyl)-
    • Inchi： 1S/C22H18O2/c1-15-6-10-17(11-7-15)21(23)19-4-3-5-20(14-19)22(24)18-12-8-16(2)9-13-18/h3-14H,1-2H3
    • InChI Key： FIALLYBQVILKOF-UHFFFAOYSA-N
    • SMILES： O=C(C1C=CC(C)=CC=1)C1C=CC=C(C(C2C=CC(C)=CC=2)=O)C=1

Computed Properties

  • Exact Mass: 314.13074
  • Monoisotopic Mass: 314.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 4
  • Complexity: 399
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.3
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14

Methanone,1,1'-(1,3-phenylene)bis[1-(methylphenyl)- Related Literature

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