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3-Methyl-4-Isopropylphenol
CAS: 3228-02-2 | C10H14O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3228-02-2
Molecular Formula:
C10H14O
Molecular Weight:
150.22099999999998 g/mol
Names and Synonyms:
3-Methyl-4-Isopropylphenol
IPMP
Isopropylmethylphenol
3-Methyl-4-(propan-2-yl)phenol
5-Methyl-4-isopropylphenol
NSC 62111
Biosol (antibacterial)
Frecide
1-Hydroxy-3-methyl-4-isopropylbenzene
4-Isopropyl-5-methylphenol
4-Isopropyl-3-methylphenol
3-Methyl-4-isopropylphenol
4-Isopropyl-m-cresol
Biosol
p-Thymol
3-Methyl-4-(1-methylethyl)phenol
m-Cresol, 4-isopropyl-
o-Cymen-5-ol
Phenol, 3-methyl-4-(1-methylethyl)-
Identifiers:
SMILES:
Cc1cc(O)ccc1C(C)C
InChI:
InChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3
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 | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 20.23 Ų | RDKit |
| Physical Properties | LogP | 2.824020000000001 | RDKit |
| molecular_mass | 150.22 g/mol | Legacy Database | |
| cas-boiling-point | 238 °C | Legacy Database | |
| cas-canonical-smile | OC1=CC=C(C(=C1)C)C(C)C | Legacy Database | |
| cas-inchi | InChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3 | Legacy Database | |
| cas-inchi-key | InChIKey=IJALWSVNUBBQRA-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 114 °C | Legacy Database | |
| cas-name | 3-Methyl-4-isopropylphenol | Legacy Database | |
| Molar | Molar Refractivity | 46.932800000000036 | RDKit |
| Molecular | Molecular Weight | 150.22099999999998 g/mol | RDKit |
| Exact | Exact Molecular Weight | 150.104465068 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
