About 1-methyl-2-propylbenzene
1-methyl-2-propylbenzene (PubChem CID 14091) has the molecular formula C10H14
and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-methyl-2-propylbenzene.
Molecular Properties
| Compound Name | 1-methyl-2-propylbenzene |
|---|
| PubChem CID | 14091 |
|---|
| Molecular Formula | C10H14 |
|---|
| Molecular Weight | 134.22 g/mol |
|---|
| Exact Mass | 134.11 |
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| IUPAC Name | 1-methyl-2-propylbenzene |
|---|
| SMILES | CCCc1ccccc1C |
|---|
| InChI | InChI=1S/C10H14/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3 |
|---|
| InChIKey | YQZBFMJOASEONC-UHFFFAOYSA-N |
|---|
| XLogP | 2.95 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | 2 |
|---|
| Heavy Atoms | 10 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 134.22 |
| LogP ≤ 5 | 2.95 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of 1-methyl-2-propylbenzene?
The IUPAC name of 1-methyl-2-propylbenzene (CID 14091) is 1-methyl-2-propylbenzene.
What is the SMILES notation for 1-methyl-2-propylbenzene?
The canonical SMILES for 1-methyl-2-propylbenzene is CCCc1ccccc1C.
What is the InChIKey of 1-methyl-2-propylbenzene?
The InChIKey is YQZBFMJOASEONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 1-methyl-2-propylbenzene?
1-methyl-2-propylbenzene has a molecular weight of 134.22 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propylbenzene is sourced from PubChem (CID 14091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).