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4,4′-[1-[4-[1-(4-Hydroxyphenyl)-1-Methylethyl]Phenyl]Ethylidene]Bis[Phenol]
CAS: 110726-28-8 | C29H28O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
110726-28-8
Molecular Formula:
C29H28O3
Molecular Mass:
424.54 g/mol
Names and Synonyms:
4,4′-[1-[4-[1-(4-Hydroxyphenyl)-1-Methylethyl]Phenyl]Ethylidene]Bis[Phenol]
Phenol, 4,4′-[1-[4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bis-
4,4′-[1-[4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bis[phenol]
4,4′-[1-[4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]diphenol
Trisphenol PA
4-{4-[1,1-Bis(4-hydroxyphenyl)ethyl]-α,α-dimethylbenzyl}phenol
1-[α-Methyl-α-(p-hydroxyphenyl)ethyl]-4-[α′,α′-bis(p-hydroxyphenyl)ethyl]benzene
1-[α-Methyl-α-(4-hydroxyphenyl)ethyl]-4-[α,α-bis(4-hydroxyphenyl)ethyl]benzene
TrisP PA
1-[α-Methyl-α-(4′-hydroxyphenyl)ethyl]-4-[α′,α′-bis(4′′-hydroxyphenyl)ethyl]benzene
GV 6000
Tris-PA
Tris-PA (phenol)
α,α,α′-Tris(4-hydroxyphenyl)-1-ethyl-4-isopropylbenzene
1-(1,1-Bis(4-hydroxyphenyl)ethyl)-4-(1-methyl-1-(4-hydroxyphenyl)ethyl)benzene
TrisP-PA-MF
TP-TG
Identifiers:
SMILES:
CC(C)(c1ccc(O)cc1)c1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChI:
InChI=1S/C29H28O3/c1-28(2,21-8-14-25(30)15-9-21)20-4-6-22(7-5-20)29(3,23-10-16-26(31)17-11-23)24-12-18-27(32)19-13-24/h4-19,30-32H,1-3H3
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 | 424.54 g/mol | CAS Common Chemistry |
| 424.5400000000001 g/mol | RDKit | |
| 424.20384475599997 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(C=C1)C(C2=CC=C(O)C=C2)(C3=CC=C(C=C3)C(C4=CC=C(O)C=C4)(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C29H28O3/c1-28(2,21-8-14-25(30)15-9-21)20-4-6-22(7-5-20)29(3,23-10-16-26(31)17-11-23)24-12-18-27(32)19-13-24/h4-19,30-32H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WXYSZTISEJBRHW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4,4′-[1-[4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bis[phenol] | CAS Common Chemistry |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 60.69 Ų | RDKit |
| LogP | 6.483600000000008 | RDKit |
| Molar Refractivity | 128.4464 | RDKit |
