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Molecule
4′-Cyano-4-Hydroxybiphenyl
CAS: 19812-93-2 · C13H9NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19812-93-2
- Molecular Formula
- C13H9NO
- Molecular Mass
- 195.22 g/mol
Identifiers
CAS Registry Number
19812-93-2
SMILES
N#Cc1ccc(-c2ccc(O)cc2)cc1
InChI Key
ZRMIETZFPZGBEB-UHFFFAOYSA-N
InChI
InChI=1S/C13H9NO/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-8,15H
Names and Synonyms
- 4′-Cyano-4-Hydroxybiphenyl Systematic Name
- 4′-Hydroxy[1,1′-biphenyl]-4-carbonitrile Synonym
- [1,1′-Biphenyl]-4-carbonitrile, 4′-hydroxy- Synonym
- 4-Biphenylcarbonitrile, 4′-hydroxy- Synonym
- 4′-Hydroxy-4-biphenylcarbonitrile Synonym
- 4-Cyano-4′-hydroxybiphenyl Synonym
- 4′-Cyano-4-hydroxybiphenyl Synonym
- 4-Hydroxy-4′-cyanobiphenyl Synonym
- 4-(4-Hydroxyphenyl)benzonitrile Synonym
- 4-(4-Cyanophenyl)phenol Synonym
- 4-(4′-Cyanophenyl)phenol Synonym
- 4′-Hydroxy-4-biphenylylcarbonitrile Synonym
- 4′-Hydroxy-4-cyanobiphenyl Synonym
- 4′-Cyanobiphenyl-4-ol Synonym
- 4′-Hydroxybiphenyl-4-nitrile Synonym
- 4′-Hydroxy-4-cyano-1,1′-biphenyl Synonym
- 4′-Cyano-4-biphenol Synonym
- 4-Hydro-4′-cyanobiphenyl Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 195.22 g/mol | CAS Common Chemistry |
| 195.221 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 |
| 44.02 Ų | RDKit | |
| LogP | 2.930880000000001 | RDKit |
| 2.9309 | RDKit | |
| Molar Refractivity | 58.257800000000024 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 195.068413908 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 = 195.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H9NO.
