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Molecule
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
Identifiers
CAS Registry Number
2461-42-9
SMILES
c1ccc2c(OCC3CO3)cccc2c1
InChI Key
QYYCPWLLBSSFBW-UHFFFAOYSA-N
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
Names and Synonyms
- 2-[(1-Naphthalenyloxy)Methyl]Oxirane Synonym
- Oxirane, 2-[(1-naphthalenyloxy)methyl]- Synonym
- Naphthalene, 1-(2,3-epoxypropoxy)- Synonym
- Oxirane, [(1-naphthalenyloxy)methyl]- Synonym
- Propane, 1,2-epoxy-3-(1-naphthyloxy)- Synonym
- 2-[(1-Naphthalenyloxy)methyl]oxirane Synonym
- 1-(2,3-Epoxypropoxy)naphthalene Synonym
- 1-(1-Naphthyloxy)-2,3-epoxypropane Synonym
- 1-(1-Naphthoxy)-2,3-epoxypropane Synonym
- 1-(α-Naphthoxy)-2,3-epoxypropane Synonym
- 1,2-Epoxy-3-(α-naphthoxy)propane Synonym
- Glycidyl 1-naphthyl ether Synonym
- 1-(Glycidyloxy)naphthalene Synonym
- Glycidyl α-naphthyl ether Synonym
- 1,2-Epoxy-3-(1-naphthoxy)propane Synonym
- α-Naphthyl glycidyl ether Synonym
- 1-Naphthyl glycidyl ether Synonym
- 2,3-Epoxypropyl 1-naphthyl ether Synonym
- 3-(1-Naphthyloxy)-1,2-epoxypropane Synonym
- (1-Naphthoxymethyl)oxirane Synonym
- (±)-1-(1-Naphthyloxy)-2,3-epoxypropane Synonym
- (1-Naphthyloxymethyl)oxirane Synonym
- 2-(1-Naphthyloxymethyl)oxirane Synonym
- 3-(1-Naphthyloxy)propylene oxide Synonym
- NSC 632 Synonym
- 1-Naphthalenyloxymethyloxirane Synonym
- 2-[[(Naphthalen-1-yl)oxy]methyl]oxirane Synonym
- 1-Naphthol glycidyl ether Synonym
- 3-(1-Naphthoxy)-1,2-epoxypropane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 200.24 g/mol | CAS Common Chemistry |
| 200.237 g/mol | RDKit | |
| 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 |
| 21.76 Ų | RDKit | |
| LogP | 2.617400000000001 | RDKit |
| 2.6174 | RDKit | |
| Molar Refractivity | 59.18300000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2308 | RDKit |
| 0.23 | chempirical lib | |
| Exact Mass | 200.083729624 g/mol | RDKit |
| Boiling Point | 203-203.5 °C @ 18 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 200.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H12O2.
