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Molecule
1-Fluoro-4-(Phenylmethoxy)Benzene
CAS: 370-78-5 · C13H11FO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 370-78-5
- Molecular Formula
- C13H11FO
- Molecular Mass
- 202.23 g/mol
Identifiers
CAS Registry Number
370-78-5
SMILES
Fc1ccc(OCc2ccccc2)cc1
InChI Key
GOJNJAKUQZLPPP-UHFFFAOYSA-N
InChI
InChI=1S/C13H11FO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2
Names and Synonyms
- 1-Fluoro-4-(Phenylmethoxy)Benzene Systematic Name
- Benzene, 1-fluoro-4-(phenylmethoxy)- Synonym
- Ether, benzyl p-fluorophenyl Synonym
- 1-Fluoro-4-(phenylmethoxy)benzene Synonym
- Benzyl p-fluorophenyl ether Synonym
- Benzyl 4-fluorophenyl ether Synonym
- 4-Benzyloxy-1-fluorobenzene Synonym
- 1-(Benzyloxy)-4-fluorobenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 202.23 g/mol | CAS Common Chemistry |
| 202.22800000000004 g/mol | RDKit | |
| 202.228 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 |
| 3.4047 | RDKit | |
| Molar Refractivity | 57.17400000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 202.079393192 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.
External Resources
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MW = 202.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H11FO.
