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Molecule
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
Identifiers
CAS Registry Number
843-55-0
SMILES
Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1
InChI Key
SDDLEVPIDBLVHC-UHFFFAOYSA-N
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
Names and Synonyms
- Bisphenol Z Common Name
- Phenol, 4,4′-cyclohexylidenebis- Synonym
- Phenol, 4,4′-cyclohexylidenedi- Synonym
- 4,4′-Cyclohexylidenebis[phenol] Synonym
- 1,1-Bis(4-hydroxyphenyl)cyclohexane Synonym
- 4,4′-Cyclohexylidenediphenol Synonym
- Dian C Synonym
- Bisphenol Z Synonym
- 1,1-Bis(p-Hydroxyphenyl)cyclohexane Synonym
- Antigene W Synonym
- Bis-Z Synonym
- NSC 29881 Synonym
- NSC 50761 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 268.36 g/mol | CAS Common Chemistry |
| 268.35599999999994 g/mol | RDKit | |
| 268.356 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 |
| 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 |
| 4.348 | RDKit | |
| Molar Refractivity | 80.07860000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 268.14632988 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| 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.
External Resources
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MW = 268.36 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H20O2.
