Back to Search
2-Fluoro-4-Methoxyphenol
CAS: 167683-93-4 | C7H7FO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
167683-93-4
Molecular Formula:
C7H7FO2
Molecular Weight:
142.129 g/mol
Names and Synonyms:
2-Fluoro-4-Methoxyphenol
2-Fluoro-4-methoxyphenol
Phenol, 2-fluoro-4-methoxy-
Identifiers:
SMILES:
COc1ccc(O)c(F)c1
InChI:
InChI=1S/C7H7FO2/c1-10-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 142.129 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 142.043007684 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 29.46 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.5398999999999998 | RDKit |
| molecular_mass | 142.13 g/mol | Legacy Database |
| cas-canonical-smile | FC1=CC(OC)=CC=C1O None | Legacy Database |
| cas-inchi | InChI=1S/C7H7FO2/c1-10-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=FCJHBXCQIOVMEM-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2-Fluoro-4-methoxyphenol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 34.616800000000005 | RDKit |
