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Bisphenol Z
CAS: 843-55-0 | C18H20O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
843-55-0
Molecular Formula:
C18H20O2
Molecular Mass:
268.36 g/mol
Names and Synonyms:
Bisphenol Z
Phenol, 4,4′-cyclohexylidenebis-
Phenol, 4,4′-cyclohexylidenedi-
4,4′-Cyclohexylidenebis[phenol]
1,1-Bis(4-hydroxyphenyl)cyclohexane
4,4′-Cyclohexylidenediphenol
Dian C
Bisphenol Z
1,1-Bis(p-Hydroxyphenyl)cyclohexane
Antigene W
Bis-Z
NSC 29881
NSC 50761
Identifiers:
SMILES:
Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1
InChI:
InChI=1S/C18H20O2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11,19-20H,1-3,12-13H2
Key Properties
Melting Point
182 °C @ Solvent: Ethanol
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 | 268.36 g/mol | CAS Common Chemistry |
| 268.35599999999994 g/mol | RDKit | |
| 268.14632988 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bisphenol_Z | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=C(C=C1)C2(C3=CC=C(O)C=C3)CCCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C18H20O2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11,19-20H,1-3,12-13H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SDDLEVPIDBLVHC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 182 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 1,1-Bis(4-hydroxyphenyl)cyclohexane | CAS Common Chemistry |
| Bisphenol Z | CAS Common Chemistry | |
| Heavy Atom Count | 20 | 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 | 4.3480000000000025 | RDKit |
| Molar Refractivity | 80.07860000000005 | RDKit |
