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4-[(2-Fluorophenyl)Methoxy]Benzaldehyde
CAS: 70627-20-2 | C14H11FO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
70627-20-2
Molecular Formula:
C14H11FO2
Molecular Mass:
230.24 g/mol
Names and Synonyms:
4-[(2-Fluorophenyl)Methoxy]Benzaldehyde
Benzaldehyde, 4-[(2-fluorophenyl)methoxy]-
4-[(2-Fluorophenyl)methoxy]benzaldehyde
4-(2-Fluorobenzyloxy)benzaldehyde
4-(2-Fluorophenylmethoxy)benzaldehyde
Identifiers:
SMILES:
O=Cc1ccc(OCc2ccccc2F)cc1
InChI:
InChI=1S/C14H11FO2/c15-14-4-2-1-3-12(14)10-17-13-7-5-11(9-16)6-8-13/h1-9H,10H2
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 | |
| Canonical SMILES | O=CC1=CC=C(OCC=2C=CC=CC2F)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C14H11FO2/c15-14-4-2-1-3-12(14)10-17-13-7-5-11(9-16)6-8-13/h1-9H,10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HSFLULIGUCYNMW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-[(2-Fluorophenyl)methoxy]benzaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 3.217200000000002 | RDKit |
| Molar Refractivity | 62.561500000000024 | RDKit |
