Back to Search
2-Acetyl-6-Methoxynaphthalene
CAS: 3900-45-6 | C13H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3900-45-6
Molecular Formula:
C13H12O2
Molecular Mass:
200.24 g/mol
Names and Synonyms:
2-Acetyl-6-Methoxynaphthalene
Ethanone, 1-(6-methoxy-2-naphthalenyl)-
2′-Acetonaphthone, 6′-methoxy-
1-(6-Methoxy-2-naphthalenyl)ethanone
2-Acetyl-6-methoxynaphthalene
6-Methoxy-2-acetylnaphthalene
6-Acetyl-2-methoxynaphthalene
1-(6-Methoxy-2-naphthalenyl)-1-ethanone
6′-Methoxy-2′-acetonaphthone
6-Methoxy-2-naphthyl methyl ketone
1-(6-Methoxy-2-naphthyl)-1-ethanone
NSC 105564
1-(2-Methoxynaphthalen-6-yl)ethanone
1-(6-Methoxy-2-naphthyl)ethanone
2-Methoxy-6-acetylnaphthalene
Identifiers:
SMILES:
COc1ccc2cc(C(C)=O)ccc2c1
InChI:
InChI=1S/C13H12O2/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-8H,1-2H3
Key Properties
Boiling Point
165-170 °C @ Press: 3-4 Torr
CAS Common Chemistry
Melting Point
105 °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 | 200.24 g/mol | CAS Common Chemistry |
| 200.237 g/mol | RDKit | |
| 200.083729624 g/mol | RDKit | |
| Boiling Point | 165-170 °C @ Press: 3-4 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C1=CC=C2C=C(OC)C=CC2=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H12O2/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-8H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GGWCZBGAIGGTDA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 105 °C | CAS Common Chemistry |
| Name | 2-Acetyl-6-methoxynaphthalene | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 3.051000000000002 | RDKit |
| Molar Refractivity | 60.50450000000003 | RDKit |
