Back to Search
3,3′,5,5′-Tetrakis(1,1-Dimethylethyl)[1,1′-Biphenyl]-2,2′-Diol
CAS: 6390-69-8 | C28H42O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6390-69-8
Molecular Formula:
C28H42O2
Molecular Mass:
410.64 g/mol
Names and Synonyms:
3,3′,5,5′-Tetrakis(1,1-Dimethylethyl)[1,1′-Biphenyl]-2,2′-Diol
[1,1′-Biphenyl]-2,2′-diol, 3,3′,5,5′-tetrakis(1,1-dimethylethyl)-
Phenol 3,3′,5,5′-tetra-tert-butyl[1,1′-biphenyl]-2,2′-diol
3,5,3′,5′-Tetra-tert-butyl-biphenyl-2,2′-diol
2,2′-Biphenyldiol, 3,3′,5,5′-tetra-tert-butyl-
o,o′-Biphenol, 4,4′,6,6′-tetra-tert-butyl-
3,3′,5,5′-Tetrakis(1,1-dimethylethyl)[1,1′-biphenyl]-2,2′-diol
3,3′,5,5′-Tetra-tert-butyl-2,2′-biphenyldiol
2,2′-Dihydroxy-3,3′,5,5′-tetra-tert-butylbiphenyl
3,3′,5,5′-Tetra-tert-butyl-2,2′-dihydroxybiphenyl
4,4′,6,6′-Tetra-tert-butyl-2,2′-biphenol
3,3′,5,5′-Tetra-tert-butyl-[1,1′-biphenyl]-2,2′-diol
3,3′,5,5′-Tetrakis(1,1-dimethylethyl)-[1,1′-biphenyl]-2,2′-diol
NSC 122714
2,2′-Dihydroxy-3,3′,5,5′-tetra-tert-butyl-1,1′-biphenyl
3,3′,5,5′-Tetra-tert-butyl-2,2′-dihydroxy-1,1′-biphenyl
3,3′,5,5′-Tetrakis(tert-butyl)biphenyl-2,2′-diol
3,3′,5,5′-Tetra-tert-butyl-2,2′-bis(phenol)
2,2′-Dihydroxy-3,3′,5,5′-tetra-tert-butyl-1,1′-diphenyl
2,2′-Dihydroxy-3,3′,5,5′-tetra(t-butyl)biphenyl
2,4-Ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenol
Identifiers:
SMILES:
CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChI:
InChI=1S/C28H42O2/c1-25(2,3)17-13-19(23(29)21(15-17)27(7,8)9)20-14-18(26(4,5)6)16-22(24(20)30)28(10,11)12/h13-16,29-30H,1-12H3
Key Properties
Melting Point
186-188 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 410.64 g/mol | CAS Common Chemistry |
| 410.64200000000017 g/mol | RDKit | |
| 410.31848058399993 g/mol | RDKit | |
| Canonical SMILES | OC1=C(C=C(C=C1C(C)(C)C)C(C)(C)C)C=2C=C(C=C(C2O)C(C)(C)C)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C28H42O2/c1-25(2,3)17-13-19(23(29)21(15-17)27(7,8)9)20-14-18(26(4,5)6)16-22(24(20)30)28(10,11)12/h13-16,29-30H,1-12H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GDGDLBOVIAWEAD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 186-188 °C | CAS Common Chemistry |
| Name | 3,3′,5,5′-Tetrakis(1,1-dimethylethyl)[1,1′-biphenyl]-2,2′-diol | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 7.9548000000000085 | RDKit |
| Molar Refractivity | 130.00760000000005 | RDKit |
