About 5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene
5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene (PubChem CID 87702809) has the molecular formula C20H22
and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene.
Molecular Properties
| Compound Name | 5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene |
| PubChem CID | 87702809 |
| Molecular Formula | C20H22 |
| Molecular Weight | 262.40 g/mol |
| Exact Mass | 262.17 |
| IUPAC Name | 5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene |
| SMILES | CCc1ccccc1-c1c(CC)ccc2c1C=C(C)C2 |
| InChI | InChI=1S/C20H22/c1-4-15-8-6-7-9-18(15)20-16(5-2)10-11-17-12-14(3)13-19(17)20/h6-11,13H,4-5,12H2,1-3H3 |
| InChIKey | INBJOHQDKSMSON-UHFFFAOYSA-N |
| XLogP | 5.44 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 3 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 262.40 |
| LogP ≤ 5 | 5.44 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of 5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene?
The IUPAC name of 5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene (CID 87702809) is 5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene.
What is the SMILES notation for 5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene?
The canonical SMILES for 5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene is CCc1ccccc1-c1c(CC)ccc2c1C=C(C)C2.
What is the InChIKey of 5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene?
The InChIKey is INBJOHQDKSMSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-4-15-8-6-7-9-18(15)20-16(5-2)10-11-17-12-14(3)13-19(17)20/h6-11,13H,4-5,12H2,1-3H3.
What are the key properties of 5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene?
5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene has a molecular weight of 262.40 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene is sourced from PubChem (CID 87702809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).