Cas no 68684-63-9 (1-(4-hydroxyphenyl)-1,2-diphenyl-1-butene)

1-(4-hydroxyphenyl)-1,2-diphenyl-1-butene structure
68684-63-9 structure
Product Name:1-(4-hydroxyphenyl)-1,2-diphenyl-1-butene
CAS No:68684-63-9
MF:C22H20O
MW:300.393606185913
CID:971834
PubChem ID:63063
Update Time:2025-04-19

1-(4-hydroxyphenyl)-1,2-diphenyl-1-butene Chemical and Physical Properties

Names and Identifiers

    • 1-(4-hydroxyphenyl)-1,2-diphenyl-1-butene
    • 1,2-Diphenyl-1-(4-hydroxyphenyl)but-1-ene
    • (E,Z)-1,2-Diphenyl-1-(4-hydroxyphenyl)-but-1-ene
    • ICI 77949
    • 4-[1,2-diphenylbut-1-enyl]phenol
    • 4-(1,2-diphenylbut-1-enyl)phenol
    • LCZC1435
    • 68684-63-9
    • CID 63063
    • (Z)-4-(1,2-diphenylbut-1-en-1-yl)phenol
    • SCHEMBL5354177
    • DTXSID701294588
    • NS00006628
    • (EZ)-1-(4-Hydroxyphenyl)-1,2-diphenylbut-1-ene
    • 4-(1,2-Diphenyl-1-buten-1-yl)phenol
    • DB-322065
    • Inchi: 1S/C22H20O/c1-2-21(17-9-5-3-6-10-17)22(18-11-7-4-8-12-18)19-13-15-20(23)16-14-19/h3-16,23H,2H2,1H3
    • InChI Key: YJVFSITVRZYTHO-UHFFFAOYSA-N
    • SMILES: OC1C=CC(=CC=1)C(C1C=CC=CC=1)=C(C1C=CC=CC=1)CC

Computed Properties

  • Exact Mass: 300.1515
  • Monoisotopic Mass: 300.151415
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 4
  • Complexity: 377
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.3
  • Topological Polar Surface Area: 20.2

Experimental Properties

  • Density: 1.096±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 104-105 oC
  • Boiling Point: 420.6°C at 760 mmHg
  • Flash Point: 197.2°C
  • Refractive Index: 1.622
  • Solubility: Insuluble (3.6E-3 g/L) (25 oC),
  • PSA: 20.23
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