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Molecule
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
Identifiers
CAS Registry Number
1745-89-7
SMILES
C=CCc1cc(C(C)(C)c2ccc(O)c(CC=C)c2)ccc1O
InChI Key
WOCGGVRGNIEDSZ-UHFFFAOYSA-N
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
Names and Synonyms
- O,O′-Diallylbisphenol A Synonym
- Phenol, 4,4′-(1-methylethylidene)bis[2-(2-propen-1-yl)- Synonym
- Phenol, 4,4′-isopropylidenebis[2-allyl- Synonym
- Phenol, 4,4′-(1-methylethylidene)bis[2-(2-propenyl)- Synonym
- 4,4′-(1-Methylethylidene)bis[2-(2-propen-1-yl)phenol] Synonym
- o,o′-Diallylbisphenol A Synonym
- 2,2-Bis(3-allyl-4-hydroxyphenyl)propane Synonym
- 2,2′-Diallylbisphenol A Synonym
- XU 292B Synonym
- 4,4′-Isopropylidenebis(2-allylphenol) Synonym
- Matrimid 5292B Synonym
- PF 012 Synonym
- 2,2′-Bis(3-allyl-4-hydroxyphenyl)isopropylidene Synonym
- DAL-BPA Synonym
- BPA-CA Synonym
- 4,4′-(1-Methylethylidene)bis[2-(2-propenyl)phenol] Synonym
- Compimide TM 124 Synonym
- BPA-CA-S Synonym
- 5292B Synonym
- Homide 127A Synonym
- DABPA Synonym
- 4,4′-(Dimethylmethylene)bis[2-(2-propenyl)phenol] Synonym
- GP 206 Synonym
- di-o-allylbisphenol A Synonym
- Homid 127A Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 308.42 g/mol | CAS Common Chemistry |
| 308.421 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 |
| 4.8807 | RDKit | |
| 4.51 | chempirical lib | |
| Molar Refractivity | 96.14360000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2381 | RDKit |
| 0.24 | chempirical lib | |
| Exact Mass | 308.177630008 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 308.42 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C21H24O2.
