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4′-Cyano-4-Hydroxybiphenyl
CAS: 19812-93-2 | C13H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19812-93-2
Molecular Formula:
C13H9NO
Molecular Mass:
195.22 g/mol
Names and Synonyms:
4′-Cyano-4-Hydroxybiphenyl
[1,1′-Biphenyl]-4-carbonitrile, 4′-hydroxy-
4-Biphenylcarbonitrile, 4′-hydroxy-
4′-Hydroxy[1,1′-biphenyl]-4-carbonitrile
4′-Hydroxy-4-biphenylcarbonitrile
4-Cyano-4′-hydroxybiphenyl
4′-Cyano-4-hydroxybiphenyl
4-Hydroxy-4′-cyanobiphenyl
4-(4-Hydroxyphenyl)benzonitrile
4-(4-Cyanophenyl)phenol
4-(4′-Cyanophenyl)phenol
4′-Hydroxy-4-biphenylylcarbonitrile
4′-Hydroxy-4-cyanobiphenyl
4′-Cyanobiphenyl-4-ol
4′-Hydroxybiphenyl-4-nitrile
4′-Hydroxy-4-cyano-1,1′-biphenyl
4′-Cyano-4-biphenol
4-Hydro-4′-cyanobiphenyl
Identifiers:
SMILES:
N#Cc1ccc(-c2ccc(O)cc2)cc1
InChI:
InChI=1S/C13H9NO/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-8,15H
Key Properties
Melting Point
193-194 °C (sublm)
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 195.22 g/mol | CAS Common Chemistry |
| 195.221 g/mol | RDKit | |
| 195.068413908 g/mol | RDKit | |
| Canonical SMILES | N#CC1=CC=C(C=C1)C=2C=CC(O)=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H9NO/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-8,15H | CAS Common Chemistry |
| InChI Key | InChIKey=ZRMIETZFPZGBEB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 193-194 °C (sublm) | CAS Common Chemistry |
| Name | 4′-Cyano-4-hydroxybiphenyl | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 44.019999999999996 Ų | RDKit |
| LogP | 2.930880000000001 | RDKit |
| Molar Refractivity | 58.257800000000024 | RDKit |
