Cas no 147565-68-2 (1,3-Benzenediol, 4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-)

1,3-Benzenediol, 4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]- structure
147565-68-2 structure
Product Name:1,3-Benzenediol, 4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-
CAS No:147565-68-2
MF:C24H26O4
MW:378.460847377777
CID:1318808
PubChem ID:21896275
Update Time:2025-04-20

1,3-Benzenediol, 4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzenediol, 4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-
    • 4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,3-diol
    • SCHEMBL217361
    • 147565-68-2
    • DTXSID60619617
    • Inchi： 1S/C24H26O4/c1-13-5-17(6-14(2)23(13)27)9-19-11-20(22(26)12-21(19)25)10-18-7-15(3)24(28)16(4)8-18/h5-8,11-12,25-28H,9-10H2,1-4H3
    • InChI Key： QVXKUJXRPGXCQJ-UHFFFAOYSA-N
    • SMILES： OC1C=C(C(=CC=1CC1C=C(C)C(=C(C)C=1)O)CC1C=C(C)C(=C(C)C=1)O)O

Computed Properties

  • Exact Mass: 378.18318
  • Monoisotopic Mass: 378.18310931g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 4
  • Complexity: 431
  • 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: 80.9?2

Experimental Properties

  • PSA: 80.92

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