Back to Search
Molecule
4-Ethoxy-Β,Β-Dimethylbenzeneethanol
CAS: 83493-63-4 · C12H18O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 83493-63-4
- Molecular Formula
- C12H18O2
- Molecular Mass
- 194.27 g/mol
Identifiers
CAS Registry Number
83493-63-4
SMILES
CCOc1ccc(C(C)(C)CO)cc1
InChI Key
OZEZBKUHAGFQME-UHFFFAOYSA-N
InChI
InChI=1S/C12H18O2/c1-4-14-11-7-5-10(6-8-11)12(2,3)9-13/h5-8,13H,4,9H2,1-3H3
Names and Synonyms
- 4-Ethoxy-Β,Β-Dimethylbenzeneethanol Synonym
- Benzeneethanol, 4-ethoxy-β,β-dimethyl- Synonym
- 4-Ethoxy-β,β-dimethylbenzeneethanol Synonym
- 4-Ethoxyneophyl alcohol Synonym
- 2-Methyl-2-(4-ethoxyphenyl)propyl alcohol Synonym
- p-Ethoxyneophyl alcohol Synonym
- 2-(4-Ethoxyphenyl)-2-methyl-1-propanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 194.27 g/mol | CAS Common Chemistry |
| 194.27399999999997 g/mol | RDKit | |
| 194.274 g/mol | RDKit | |
| Canonical SMILES | OCC(C1=CC=C(OCC)C=C1)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H18O2/c1-4-14-11-7-5-10(6-8-11)12(2,3)9-13/h5-8,13H,4,9H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OZEZBKUHAGFQME-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Ethoxy-β,β-dimethylbenzeneethanol | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 2.3552 | RDKit |
| Molar Refractivity | 57.72280000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 194.130679816 g/mol | RDKit |
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 = 194.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H18O2.
1,1-Dimethylethyl Bicyclo[2.2.1]Hept-5-Ene-2-Carboxylate
CAS 154970-45-3
Phenol, 4-(hexyloxy)-
CAS 18979-55-0
[2-(1-Ethoxyethoxy)Ethyl]Benzene
CAS 2556-10-7
Α1,Α1,Α4,Α4-Tetramethyl-1,4-Benzenedimethanol
CAS 2948-46-1
Tricyclo[3.3.1.13,7]decane-1-acetic acid
CAS 4942-47-6
Hexylresorcinol
CAS 136-77-6
