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4-Phenoxypyridine
CAS: 4783-86-2 | C11H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4783-86-2
Molecular Formula:
C11H9NO
Molecular Mass:
171.20 g/mol
Names and Synonyms:
4-Phenoxypyridine
Pyridine, 4-phenoxy-
4-Phenoxypyridine
NSC 68195
Identifiers:
SMILES:
c1ccc(Oc2ccncc2)cc1
InChI:
InChI=1S/C11H9NO/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-9H
Key Properties
Boiling Point
141-142 °C @ Press: 14 Torr
CAS Common Chemistry
Melting Point
45.5-46.5 °C
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 | 171.20 g/mol | CAS Common Chemistry |
| 171.199 g/mol | RDKit | |
| 171.068413908 g/mol | RDKit | |
| Boiling Point | 141-142 °C @ Press: 14 Torr | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC(OC=2C=CC=CC2)=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H9NO/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-9H | CAS Common Chemistry |
| InChI Key | InChIKey=OATKXQIGHQXTDO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 45.5-46.5 °C | CAS Common Chemistry |
| Name | 4-Phenoxypyridine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 22.12 Ų | RDKit |
| LogP | 2.873900000000001 | RDKit |
| Molar Refractivity | 50.75300000000003 | RDKit |
