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O,O′-Diallylbisphenol A
CAS: 1745-89-7 | C21H24O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
1745-89-7
Molecular Formula:
C21H24O2
Molecular Mass:
308.42 g/mol
Names and Synonyms:
O,O′-Diallylbisphenol A
Phenol, 4,4′-(1-methylethylidene)bis[2-(2-propen-1-yl)-
Phenol, 4,4′-isopropylidenebis[2-allyl-
Phenol, 4,4′-(1-methylethylidene)bis[2-(2-propenyl)-
4,4′-(1-Methylethylidene)bis[2-(2-propen-1-yl)phenol]
o,o′-Diallylbisphenol A
2,2-Bis(3-allyl-4-hydroxyphenyl)propane
2,2′-Diallylbisphenol A
XU 292B
4,4′-Isopropylidenebis(2-allylphenol)
Matrimid 5292B
PF 012
2,2′-Bis(3-allyl-4-hydroxyphenyl)isopropylidene
DAL-BPA
BPA-CA
4,4′-(1-Methylethylidene)bis[2-(2-propenyl)phenol]
Compimide TM 124
BPA-CA-S
5292B
Homide 127A
DABPA
4,4′-(Dimethylmethylene)bis[2-(2-propenyl)phenol]
GP 206
di-o-allylbisphenol A
Homid 127A
Identifiers:
SMILES:
C=CCc1cc(C(C)(C)c2ccc(O)c(CC=C)c2)ccc1O
InChI:
InChI=1S/C21H24O2/c1-5-7-15-13-17(9-11-19(15)22)21(3,4)18-10-12-20(23)16(14-18)8-6-2/h5-6,9-14,22-23H,1-2,7-8H2,3-4H3
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 | 308.42 g/mol | CAS Common Chemistry |
| 308.421 g/mol | RDKit | |
| 308.177630008 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(C=C1CC=C)C(C2=CC=C(O)C(=C2)CC=C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C21H24O2/c1-5-7-15-13-17(9-11-19(15)22)21(3,4)18-10-12-20(23)16(14-18)8-6-2/h5-6,9-14,22-23H,1-2,7-8H2,3-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WOCGGVRGNIEDSZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | o,o′-Diallylbisphenol A | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 4.880700000000005 | RDKit |
| Molar Refractivity | 96.14360000000003 | RDKit |
