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1-[2-(Benzoyloxy)Phenyl]Ethanone
CAS: 4010-33-7 | C15H12O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4010-33-7
Molecular Formula:
C15H12O3
Molecular Mass:
240.26 g/mol
Names and Synonyms:
1-[2-(Benzoyloxy)Phenyl]Ethanone
Ethanone, 1-[2-(benzoyloxy)phenyl]-
Acetophenone, 2′-hydroxy-, benzoate
1-[2-(Benzoyloxy)phenyl]ethanone
2′-Benzoyloxyacetophenone
o-(Benzoyloxy)acetophenone
NSC 31880
2-Benzoyloxyphenyl methyl ketone
o-Acetylphenyl benzoate
2-Acetylphenyl benzoate
Identifiers:
SMILES:
CC(=O)c1ccccc1OC(=O)c1ccccc1
InChI:
InChI=1S/C15H12O3/c1-11(16)13-9-5-6-10-14(13)18-15(17)12-7-3-2-4-8-12/h2-10H,1H3
Key Properties
Melting Point
89 °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 | 240.26 g/mol | CAS Common Chemistry |
| 240.25799999999998 g/mol | RDKit | |
| 240.078644244 g/mol | RDKit | |
| Canonical SMILES | O=C(OC=1C=CC=CC1C(=O)C)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C15H12O3/c1-11(16)13-9-5-6-10-14(13)18-15(17)12-7-3-2-4-8-12/h2-10H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UEVPPUDQJRWOLT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 89 °C | CAS Common Chemistry |
| Name | 1-[2-(Benzoyloxy)phenyl]ethanone | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| LogP | 3.1084000000000014 | RDKit |
| Molar Refractivity | 67.84700000000004 | RDKit |
