About 1-ethyl-4-(4-ethylphenyl)-2-propylbenzene
1-ethyl-4-(4-ethylphenyl)-2-propylbenzene (PubChem CID 143540689) has the molecular formula C19H24
and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-ethyl-4-(4-ethylphenyl)-2-propylbenzene.
Molecular Properties
| Compound Name | 1-ethyl-4-(4-ethylphenyl)-2-propylbenzene |
| PubChem CID | 143540689 |
| Molecular Formula | C19H24 |
| Molecular Weight | 252.40 g/mol |
| Exact Mass | 252.19 |
| IUPAC Name | 1-ethyl-4-(4-ethylphenyl)-2-propylbenzene |
| SMILES | CCCc1cc(-c2ccc(CC)cc2)ccc1CC |
| InChI | InChI=1S/C19H24/c1-4-7-18-14-19(13-12-16(18)6-3)17-10-8-15(5-2)9-11-17/h8-14H,4-7H2,1-3H3 |
| InChIKey | KLEJSUXRBGOTKN-UHFFFAOYSA-N |
| XLogP | 5.43 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 5 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 252.40 |
| LogP ≤ 5 | 5.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of 1-ethyl-4-(4-ethylphenyl)-2-propylbenzene?
The IUPAC name of 1-ethyl-4-(4-ethylphenyl)-2-propylbenzene (CID 143540689) is 1-ethyl-4-(4-ethylphenyl)-2-propylbenzene.
What is the SMILES notation for 1-ethyl-4-(4-ethylphenyl)-2-propylbenzene?
The canonical SMILES for 1-ethyl-4-(4-ethylphenyl)-2-propylbenzene is CCCc1cc(-c2ccc(CC)cc2)ccc1CC.
What is the InChIKey of 1-ethyl-4-(4-ethylphenyl)-2-propylbenzene?
The InChIKey is KLEJSUXRBGOTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24/c1-4-7-18-14-19(13-12-16(18)6-3)17-10-8-15(5-2)9-11-17/h8-14H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-4-(4-ethylphenyl)-2-propylbenzene?
1-ethyl-4-(4-ethylphenyl)-2-propylbenzene has a molecular weight of 252.40 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-ethylphenyl)-2-propylbenzene is sourced from PubChem (CID 143540689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).