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1-Fluoro-4-(Phenylmethoxy)Benzene
CAS: 370-78-5 | C13H11FO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
370-78-5
Molecular Formula:
C13H11FO
Molecular Mass:
202.23 g/mol
Names and Synonyms:
1-Fluoro-4-(Phenylmethoxy)Benzene
Benzene, 1-fluoro-4-(phenylmethoxy)-
Ether, benzyl p-fluorophenyl
1-Fluoro-4-(phenylmethoxy)benzene
Benzyl p-fluorophenyl ether
Benzyl 4-fluorophenyl ether
4-Benzyloxy-1-fluorobenzene
1-(Benzyloxy)-4-fluorobenzene
Identifiers:
SMILES:
Fc1ccc(OCc2ccccc2)cc1
InChI:
InChI=1S/C13H11FO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2
Key Properties
Melting Point
55.5 °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 | 202.23 g/mol | CAS Common Chemistry |
| 202.22800000000004 g/mol | RDKit | |
| 202.079393192 g/mol | RDKit | |
| Canonical SMILES | FC1=CC=C(OCC=2C=CC=CC2)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C13H11FO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GOJNJAKUQZLPPP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 55.5 °C | CAS Common Chemistry |
| Name | 1-Fluoro-4-(phenylmethoxy)benzene | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 3.404700000000002 | RDKit |
| Molar Refractivity | 57.17400000000003 | RDKit |
