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Molecule
1,1-Dichloro-2,2-Bis(4-Hydroxyphenyl)Ethylene
CAS: 14868-03-2 · C14H10Cl2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14868-03-2
- Molecular Formula
- C14H10Cl2O2
- Molecular Mass
- 281.14 g/mol
Identifiers
CAS Registry Number
14868-03-2
SMILES
Oc1ccc(C(=C(Cl)Cl)c2ccc(O)cc2)cc1
InChI Key
OWEYKIWAZBBXJK-UHFFFAOYSA-N
InChI
InChI=1S/C14H10Cl2O2/c15-14(16)13(9-1-5-11(17)6-2-9)10-3-7-12(18)8-4-10/h1-8,17-18H
Names and Synonyms
- 1,1-Dichloro-2,2-Bis(4-Hydroxyphenyl)Ethylene Systematic Name
- 1,1-Dichloro-2,2-bis(4-hydroxyphenyl)ethylene Synonym
- Phenol, 4,4′-(2,2-dichloroethenylidene)bis- Synonym
- Phenol, 4,4′-(dichlorovinylidene)di- Synonym
- Phenol, 4,4′-(dichloroethenylidene)bis- Synonym
- 4,4′-(2,2-Dichloroethenylidene)bis[phenol] Synonym
- 1,1-Bis(4-hydroxyphenyl)-2,2-dichloroethylene Synonym
- 1,1-Dichloro-2,2-bis(p-hydroxyphenyl)ethylene Synonym
- 1,1-Bis(p-hydroxyphenyl)-2,2-dichloroethylene Synonym
- 4,4′-(Dichlorovinylidene)diphenol Synonym
- 1,1-Dichloro-2,2-bis(4-hydroxyphenyl)ethene Synonym
- 2,2-Dichloro-1,1-bis(4-hydroxyphenyl)ethylene Synonym
- Bisphenol C 2 Synonym
- 2,2-Bis(4-hydroxyphenyl)-1,1-dichloroethylene Synonym
- Bis(4-hydroxyphenyl)dichloroethylene Synonym
- 2,2-Bis(4-hydroxyphenyl)-1,1-dichloroethene Synonym
- Bis(4-hydroxyphenyl)-2,2-dichloroethylene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 281.14 g/mol | CAS Common Chemistry |
| 281.13800000000003 g/mol | RDKit | |
| 281.138 g/mol | RDKit | |
| 281.132 g/mol | chempirical lib | |
| Canonical SMILES | ClC(Cl)=C(C1=CC=C(O)C=C1)C2=CC=C(O)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H10Cl2O2/c15-14(16)13(9-1-5-11(17)6-2-9)10-3-7-12(18)8-4-10/h1-8,17-18H | CAS Common Chemistry |
| InChI Key | InChIKey=OWEYKIWAZBBXJK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 210 °C | CAS Common Chemistry |
| Name | 1,1-Dichloro-2,2-bis(4-hydroxyphenyl)ethylene | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 4.292300000000002 | RDKit |
| 4.2923 | RDKit | |
| Molar Refractivity | 73.94160000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 280.00578492 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 281.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H10Cl2O2.
