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2-Ethoxy-4-Methylphenol
CAS: 2563-07-7 | C9H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2563-07-7
Molecular Formula:
C9H12O2
Molecular Weight:
152.19299999999998 g/mol
Names and Synonyms:
2-Ethoxy-4-Methylphenol
Phenol, 2-ethoxy-4-methyl-
p-Cresol, 2-ethoxy-
2-Ethoxy-4-methylphenol
2-Ethoxy-p-cresol
4-Methyl-2-ethoxyphenol
Ultravanil
Identifiers:
SMILES:
CCOc1cc(C)ccc1O
InChI:
InChI=1S/C9H12O2/c1-3-11-9-6-7(2)4-5-8(9)10/h4-6,10H,3H2,1-2H3
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
| Category | Property | Value | Source |
|---|---|---|---|
| Hydrogen | Hydrogen Bond Donors | 1 count | RDKit |
| Hydrogen Bond Acceptors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 29.46 Ų | RDKit |
| Physical Properties | LogP | 2.09932 | RDKit |
| molecular_mass | 152.19 g/mol | Legacy Database | |
| cas-boiling-point | 107-110 °C @ Press: 14 Torr | Legacy Database | |
| cas-canonical-smile | OC1=CC=C(C=C1OCC)C | Legacy Database | |
| cas-inchi | InChI=1S/C9H12O2/c1-3-11-9-6-7(2)4-5-8(9)10/h4-6,10H,3H2,1-2H3 | Legacy Database | |
| cas-inchi-key | InChIKey=ZWQBCCVEOIYNDL-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 34-35 °C | Legacy Database | |
| cas-name | 2-Ethoxy-4-methylphenol | Legacy Database | |
| Molar | Molar Refractivity | 44.01280000000003 | RDKit |
| Molecular | Molecular Weight | 152.19299999999998 g/mol | RDKit |
| Exact | Exact Molecular Weight | 152.083729624 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
