Back to Search
Molecule
2-Ethylbenzofuran
CAS: 3131-63-3 · C10H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3131-63-3
- Molecular Formula
- C10H10O
- Molecular Mass
- 146.19 g/mol
Identifiers
CAS Registry Number
3131-63-3
SMILES
CCc1cc2ccccc2o1
InChI Key
KJHYAEZMOHLVCH-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O/c1-2-9-7-8-5-3-4-6-10(8)11-9/h3-7H,2H2,1H3
Names and Synonyms
- 2-Ethylbenzofuran Synonym
- Benzofuran, 2-ethyl- Synonym
- 2-Ethylbenzofuran Synonym
- 2-Ethylbenzo[b]furan Synonym
- 2-Ethyl-1-benzofuran Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 146.19 g/mol | CAS Common Chemistry |
| 146.18899999999996 g/mol | RDKit | |
| 146.189 g/mol | RDKit | |
| Canonical SMILES | O1C=2C=CC=CC2C=C1CC | CAS Common Chemistry |
| InChI | InChI=1S/C10H10O/c1-2-9-7-8-5-3-4-6-10(8)11-9/h3-7H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KJHYAEZMOHLVCH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Ethylbenzofuran | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 13.14 Ų | RDKit |
| LogP | 2.9952000000000014 | RDKit |
| 2.9952 | RDKit | |
| Molar Refractivity | 45.59200000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 146.07316494 g/mol | RDKit |
| Boiling Point | 217-218 °C @ 742 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 146.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H10O.
