Cas no 170455-39-7 (1,1'-Biphenyl, 4'-butyl-3-methyl-)

1,1'-Biphenyl, 4'-butyl-3-methyl- structure
170455-39-7 structure
Product Name:1,1'-Biphenyl, 4'-butyl-3-methyl-
CAS No:170455-39-7
MF:C17H20
MW:224.340704917908
CID:1352277
PubChem ID:14937315
Update Time:2025-04-20

1,1'-Biphenyl, 4'-butyl-3-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1,1'-Biphenyl, 4'-butyl-3-methyl-
    • 1-butyl-4-(3-methylphenyl)benzene
    • 170455-39-7
    • DTXSID30565733
    • 4'-Butyl-3-methyl-1,1'-biphenyl
    • Inchi: 1S/C17H20/c1-3-4-7-15-9-11-16(12-10-15)17-8-5-6-14(2)13-17/h5-6,8-13H,3-4,7H2,1-2H3
    • InChI Key: ZDLZVMSDDUPMSJ-UHFFFAOYSA-N
    • SMILES: C(C1C=CC(=CC=1)C1C=CC=C(C)C=1)CCC

Computed Properties

  • Exact Mass: 224.1566
  • Monoisotopic Mass: 224.156500638g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 200
  • 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: 5.8
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0
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