Back to Search
4-Ethylbenzophenone
CAS: 18220-90-1 | C15H14O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18220-90-1
Molecular Formula:
C15H14O
Molecular Mass:
210.28 g/mol
Names and Synonyms:
4-Ethylbenzophenone
Methanone, (4-ethylphenyl)phenyl-
Benzophenone, 4-ethyl-
(4-Ethylphenyl)phenylmethanone
p-Ethylbenzophenone
4-Ethylbenzophenone
Identifiers:
SMILES:
CCc1ccc(C(=O)c2ccccc2)cc1
InChI:
InChI=1S/C15H14O/c1-2-12-8-10-14(11-9-12)15(16)13-6-4-3-5-7-13/h3-11H,2H2,1H3
Key Properties
Boiling Point
325-326 °C @ Press: 720 Torr
CAS Common Chemistry
Density
1.07 g/cm³
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 | 210.28 g/mol | CAS Common Chemistry |
| 210.276 g/mol | RDKit | |
| 210.104465068 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.0690 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 325-326 °C @ Press: 720 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1)C2=CC=C(C=C2)CC | CAS Common Chemistry |
| InChI | InChI=1S/C15H14O/c1-2-12-8-10-14(11-9-12)15(16)13-6-4-3-5-7-13/h3-11H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IJUPTKULISHEID-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Ethylbenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 3.480000000000002 | RDKit |
| Molar Refractivity | 65.69450000000003 | RDKit |
