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4-Isopropylanisole
CAS: 4132-48-3 | C10H14O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4132-48-3
Molecular Formula:
C10H14O
Molecular Mass:
150.22 g/mol
Names and Synonyms:
4-Isopropylanisole
Benzene, 1-methoxy-4-(1-methylethyl)-
Anisole, p-isopropyl-
1-Methoxy-4-(1-methylethyl)benzene
p-Isopropylanisole
p-Methoxyisopropylbenzene
p-Methoxycumene
2-(p-Methoxyphenyl)propane
4-Methoxyisopropylbenzene
4-Isopropylanisole
1-Methoxy-4-isopropylbenzene
4-Isopropylphenol methyl ether
1-Isopropyl-4-methoxybenzene
4-Methoxycumene
1-Methoxy-4-propan-2-ylbenzene
1-Methoxy-4-(propan-2-yl)benzene
Identifiers:
SMILES:
COc1ccc(C(C)C)cc1
InChI:
InChI=1S/C10H14O/c1-8(2)9-4-6-10(11-3)7-5-9/h4-8H,1-3H3
Key Properties
Boiling Point
212-215 °C
CAS Common Chemistry
Melting Point
60-61 °C
CAS Common Chemistry
Density
0.94 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.22 g/mol | CAS Common Chemistry |
| 150.221 g/mol | RDKit | |
| 150.104465068 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.9448 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 212-215 °C | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC=C(C=C1)C(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H14O/c1-8(2)9-4-6-10(11-3)7-5-9/h4-8H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JULZQKLZSNOEEJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 60-61 °C | CAS Common Chemistry |
| Name | 4-Isopropylanisole | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 2.818600000000001 | RDKit |
| Molar Refractivity | 47.083000000000034 | RDKit |
