Back to Search
1-(2-Hydroxy-6-Methoxyphenyl)Ethanone
CAS: 703-23-1 | C9H10O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
703-23-1
Molecular Formula:
C9H10O3
Molecular Mass:
166.18 g/mol
Names and Synonyms:
1-(2-Hydroxy-6-Methoxyphenyl)Ethanone
Ethanone, 1-(2-hydroxy-6-methoxyphenyl)-
Acetophenone, 2′-hydroxy-6′-methoxy-
1-(2-Hydroxy-6-methoxyphenyl)ethanone
2′-Hydroxy-6′-methoxyacetophenone
6′-Hydroxy-2′-methoxyacetophenone
6-Methoxy-2-hydroxyacetophenone
2-Hydroxy-6-methoxyacetophenone
1-(2-Hydroxy-6-methoxyphenyl)ethan-1-one
Identifiers:
SMILES:
COc1cccc(O)c1C(C)=O
InChI:
InChI=1S/C9H10O3/c1-6(10)9-7(11)4-3-5-8(9)12-2/h3-5,11H,1-2H3
Key Properties
Melting Point
60 °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 | 166.18 g/mol | CAS Common Chemistry |
| 166.17599999999996 g/mol | RDKit | |
| 166.06299418 g/mol | RDKit | |
| Canonical SMILES | O=C(C=1C(O)=CC=CC1OC)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H10O3/c1-6(10)9-7(11)4-3-5-8(9)12-2/h3-5,11H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UENLHUMCIOWYQN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 60 °C | CAS Common Chemistry |
| Name | 1-(2-Hydroxy-6-methoxyphenyl)ethanone | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 1.6034 | RDKit |
| Molar Refractivity | 44.66330000000002 | RDKit |
