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(4-Fluorophenyl)(4-Methoxyphenyl)Methanone
CAS: 345-89-1 | C14H11FO2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
345-89-1
Molecular Formula:
C14H11FO2
Molecular Mass:
230.24 g/mol
Names and Synonyms:
(4-Fluorophenyl)(4-Methoxyphenyl)Methanone
4,4′-Fluoromethoxybenzophenone
4-Fluoro-4′methoxybenzophenone
Methanone, (4-fluorophenyl)(4-methoxyphenyl)-
Benzophenone, 4-fluoro-4′-methoxy-
(4-Fluorophenyl)(4-methoxyphenyl)methanone
p-(4-Fluorobenzoyl)anisole
Identifiers:
SMILES:
COc1ccc(C(=O)c2ccc(F)cc2)cc1
InChI:
InChI=1S/C14H11FO2/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9H,1H3
Key Properties
Boiling Point
208-212 °C @ Press: 22 Torr
CAS Common Chemistry
Melting Point
96.0-96.5 °C @ Solvent: Methanol
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 | 230.24 g/mol | CAS Common Chemistry |
| 230.238 g/mol | RDKit | |
| 230.074307812 g/mol | RDKit | |
| Boiling Point | 208-212 °C @ Press: 22 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C1=CC=C(F)C=C1)C2=CC=C(OC)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H11FO2/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VWGWRNBIAWTWIB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 96.0-96.5 °C @ Solvent: Methanol | CAS Common Chemistry |
| Name | (4-Fluorophenyl)(4-methoxyphenyl)methanone | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 3.0653000000000015 | RDKit |
| Molar Refractivity | 62.826500000000024 | RDKit |
