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Molecule
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
Identifiers
CAS Registry Number
4132-48-3
SMILES
COc1ccc(C(C)C)cc1
InChI Key
JULZQKLZSNOEEJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O/c1-8(2)9-4-6-10(11-3)7-5-9/h4-8H,1-3H3
Names and Synonyms
- 4-Isopropylanisole Systematic Name
- Benzene, 1-methoxy-4-(1-methylethyl)- Synonym
- Anisole, p-isopropyl- Synonym
- 1-Methoxy-4-(1-methylethyl)benzene Synonym
- p-Isopropylanisole Synonym
- p-Methoxyisopropylbenzene Synonym
- p-Methoxycumene Synonym
- 2-(p-Methoxyphenyl)propane Synonym
- 4-Methoxyisopropylbenzene Synonym
- 4-Isopropylanisole Synonym
- 1-Methoxy-4-isopropylbenzene Synonym
- 4-Isopropylphenol methyl ether Synonym
- 1-Isopropyl-4-methoxybenzene Synonym
- 4-Methoxycumene Synonym
- 1-Methoxy-4-propan-2-ylbenzene Synonym
- 1-Methoxy-4-(propan-2-yl)benzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.22 g/mol | CAS Common Chemistry |
| 150.221 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.9448 g/cm3 @ 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 |
| 2.8186 | RDKit | |
| 2.54 | chempirical lib | |
| Molar Refractivity | 47.083000000000034 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 150.104465068 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
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Quick conversion
MW = 150.22 g/mol; density = 0.940 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H14O.
