Cas no 54473-24-4 (1,2-Benzenediol,4-[4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-)

1,2-Benzenediol,4-[4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]- structure
54473-24-4 structure
Product Name:1,2-Benzenediol,4-[4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-
CAS No:54473-24-4
MF:C19H24O4
MW:316.391466140747
CID:373942
PubChem ID:122821
Update Time:2025-04-19

1,2-Benzenediol,4-[4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenediol,4-[4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-
    • 1,2-benzenediol, 4-[(2R,3S)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-
    • heminordihydroguaiaretic acid
    • Hemi-ndga
    • 1-(3,4-Dihydroxyphenyl)-4-(3-methoxy-4-hydroxyphenyl)-2,3dimethylbutane
    • DTXSID60969644
    • QKHJBWUGXMKHAK-OLZOCXBDSA-N
    • 4-[(2R,3S)-4-(4-hydroxy-3-methoxy-phenyl)-2,3-dimethyl-butyl]benzene-1,2-diol
    • (+/-)-4-[4-(4-Hydroxy-3-methoxy-phenyl)-2,3-dimethyl-butyl]-benzene-1,2-diol
    • 1,2-Benzenediol, 4-(4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl)-
    • 3'-O-Methyl-nordihydroguaiaretic acid
    • Mal.4
    • SCHEMBL13309003
    • CHEMBL400065
    • 3'-O-Methyl-NDGA
    • 4-[4-(4-HYDROXY-3-METHOXYPHENYL)-2,3-DIMETHYLBUTYL]BENZENE-1,2-DIOL
    • 3-O'-Methyl nordihydroguaiaretic acid
    • (+)-4-[4-(4-Hydroxy-3-methoxy-phenyl)-2,3-dimethyl-butyl]-benzene-1,2-diol
    • 3-O'-methyl-NDGA
    • 54473-24-4
    • Malachi 4 5-6
    • Inchi： 1S/C19H24O4/c1-12(8-14-4-6-16(20)18(22)10-14)13(2)9-15-5-7-17(21)19(11-15)23-3/h4-7,10-13,20-22H,8-9H2,1-3H3/t12-,13+/m1/s1
    • InChI Key： QKHJBWUGXMKHAK-OLZOCXBDSA-N
    • SMILES： O(C)C1=C(C=CC(=C1)C[C@H](C)[C@H](C)CC1C=CC(=C(C=1)O)O)O

Computed Properties

  • Exact Mass: 316.16752
  • Monoisotopic Mass: 316.167
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 6
  • Complexity: 348
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.6
  • Topological Polar Surface Area: 69.9?2

Experimental Properties

  • Density: 1.176
  • Boiling Point: 505.3°C at 760 mmHg
  • Flash Point: 259.4°C
  • Refractive Index: 1.592
  • PSA: 69.92

1,2-Benzenediol,4-[4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]- Related Literature

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