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2-[(1-Naphthalenyloxy)Methyl]Oxirane
CAS: 2461-42-9 | C13H12O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
2461-42-9
Molecular Formula:
C13H12O2
Molecular Mass:
200.24 g/mol
Names and Synonyms:
2-[(1-Naphthalenyloxy)Methyl]Oxirane
Oxirane, 2-[(1-naphthalenyloxy)methyl]-
Naphthalene, 1-(2,3-epoxypropoxy)-
Oxirane, [(1-naphthalenyloxy)methyl]-
Propane, 1,2-epoxy-3-(1-naphthyloxy)-
2-[(1-Naphthalenyloxy)methyl]oxirane
1-(2,3-Epoxypropoxy)naphthalene
1-(1-Naphthyloxy)-2,3-epoxypropane
1-(1-Naphthoxy)-2,3-epoxypropane
1-(α-Naphthoxy)-2,3-epoxypropane
1,2-Epoxy-3-(α-naphthoxy)propane
Glycidyl 1-naphthyl ether
1-(Glycidyloxy)naphthalene
Glycidyl α-naphthyl ether
1,2-Epoxy-3-(1-naphthoxy)propane
α-Naphthyl glycidyl ether
1-Naphthyl glycidyl ether
2,3-Epoxypropyl 1-naphthyl ether
3-(1-Naphthyloxy)-1,2-epoxypropane
(1-Naphthoxymethyl)oxirane
(±)-1-(1-Naphthyloxy)-2,3-epoxypropane
(1-Naphthyloxymethyl)oxirane
2-(1-Naphthyloxymethyl)oxirane
3-(1-Naphthyloxy)propylene oxide
NSC 632
1-Naphthalenyloxymethyloxirane
2-[[(Naphthalen-1-yl)oxy]methyl]oxirane
1-Naphthol glycidyl ether
3-(1-Naphthoxy)-1,2-epoxypropane
Identifiers:
SMILES:
c1ccc2c(OCC3CO3)cccc2c1
InChI:
InChI=1S/C13H12O2/c1-2-6-12-10(4-1)5-3-7-13(12)15-9-11-8-14-11/h1-7,11H,8-9H2
Key Properties
Boiling Point
203-203.5 °C @ Press: 18 Torr
CAS Common Chemistry
Melting Point
95 °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 | 203-203.5 °C @ Press: 18 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC=CC=2C=CC=CC12)CC3OC3 | CAS Common Chemistry |
| InChI | InChI=1S/C13H12O2/c1-2-6-12-10(4-1)5-3-7-13(12)15-9-11-8-14-11/h1-7,11H,8-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=QYYCPWLLBSSFBW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 95 °C | CAS Common Chemistry |
| Name | 2-[(1-Naphthalenyloxy)methyl]oxirane | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 21.759999999999998 Ų | RDKit |
| LogP | 2.617400000000001 | RDKit |
| Molar Refractivity | 59.18300000000003 | RDKit |
