3,3',5,5'-Tetra(tert-Butyl)[1,1'-biphenyl]-4,4'-diol
Product Information
Molecular Formula
C28H42O2
Molecular Weight
410.63
Description
3,3',5,5'-Tetra(tert-Butyl)[1,1'-biphenyl]-4,4'-diol manifests as an extraordinary antioxidant and free radical scavenger in cellular systems. It is widely used in drug development for malignant diseases such as cancer, inflammation and neurodegenerative diseases.
Synonyms
3,3',5,5'-TETRA(TERT-BUTYL)[1,1'-BIPHENYL]-4,4'-DIOL; 3,3',5,5'-TETRA-TERT-BUTYL-4,4'-DIHYDROXYBIPHENYL; 3,3',5,5'-tetra-tert-butylbiphenyl-4,4'-diol; 4,4'-bis(2,6-di-tert-butylphenol); 4,4-DI-(2,6-DI-TERT-BUTYLPHENOL); 3,3'',5,5''-Tetra-tert-butyl-4,4''-biph
IUPAC Name
2,6-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxyphenyl)phenol
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C28H42O2/c1-25(2,3)19-13-17(14-20(23(19)29)26(4,5)6)18-15-21(27(7,8)9)24(30)22(16-18)28(10,11)12/h13-16,29-30H,1-12H3
InChI Key
GSOYMOAPJZYXTB-UHFFFAOYSA-N
Boiling Point
460.4°C at 760 mmHg
Melting Point
185°C
Purity
95%
Density
0.981g/cm3
Appearance
Light orange to Yellow to Green powder to crystal
Computed Properties
XLogP3
9.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
5
Exact Mass
410.318480578 g/mol
Monoisotopic Mass
410.318480578 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
465
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
