Cas no 5465-52-1 ([1,1':4',1''-Terphenyl]-2',4,5'-triol,2,2'',3,3'',4'',6,6''-heptamethyl- (9CI))

[1,1':4',1''-Terphenyl]-2',4,5'-triol,2,2'',3,3'',4'',6,6''-heptamethyl- (9CI) structure
5465-52-1 structure
Product Name:[1,1':4',1''-Terphenyl]-2',4,5'-triol,2,2'',3,3'',4'',6,6''-heptamethyl- (9CI)
CAS No:5465-52-1
MF:C25H28O3
MW:376.488027572632
CID:384456
PubChem ID:232018
Update Time:2025-04-19

[1,1':4',1''-Terphenyl]-2',4,5'-triol,2,2'',3,3'',4'',6,6''-heptamethyl- (9CI) Chemical and Physical Properties

Names and Identifiers

    • [1,1':4',1''-Terphenyl]-2',4,5'-triol,2,2'',3,3'',4'',6,6''-heptamethyl- (9CI)
    • 2-(4-hydroxy-2,3,6-trimethylphenyl)-5-(2,3,4,6-tetramethylphenyl)benzene-1,4-diol
    • 2,2'',3,3'',4'',6,6''-heptamethyl-1,1':4',1''-terphenyl-2',4,5'-triol
    • AC1L5MYT
    • AC1Q79TA
    • AR-1D0496
    • CTK5A2108
    • NSC29020
    • NSC-29020
    • 5465-52-1
    • DTXSID00282980
    • Inchi: 1S/C25H28O3/c1-12-8-13(2)24(17(6)15(12)4)19-10-23(28)20(11-22(19)27)25-14(3)9-21(26)16(5)18(25)7/h8-11,26-28H,1-7H3
    • InChI Key: XSMZARXAULBVSJ-UHFFFAOYSA-N
    • SMILES: OC1C=C(C(=CC=1C1C(C)=CC(C)=C(C)C=1C)O)C1C(C)=CC(=C(C)C=1C)O

Computed Properties

  • Exact Mass: 376.20394
  • Monoisotopic Mass: 376.20384475g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 2
  • Complexity: 522
  • 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: 6.7
  • Topological Polar Surface Area: 60.7?2

Experimental Properties

  • PSA: 60.69
  • LogP: 6.29620
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