About 1-methyl-4-[(E)-2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]benzene
1-methyl-4-[(E)-2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]benzene (PubChem CID 23652184) has the molecular formula C20H24
and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-methyl-4-[(E)-2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]benzene.
Molecular Properties
| Compound Name | 1-methyl-4-[(E)-2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]benzene |
| PubChem CID | 23652184 |
| Molecular Formula | C20H24 |
| Molecular Weight | 264.41 g/mol |
| Exact Mass | 264.19 |
| IUPAC Name | 1-methyl-4-[(E)-2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]benzene |
| SMILES | C/C(=C\C(C)(C)c1ccc(C)cc1)c1ccc(C)cc1 |
| InChI | InChI=1S/C20H24/c1-15-6-10-18(11-7-15)17(3)14-20(4,5)19-12-8-16(2)9-13-19/h6-14H,1-5H3/b17-14+ |
| InChIKey | FVJIZIVTXZHFKR-SAPNQHFASA-N |
| XLogP | 5.68 |
| 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 | 264.41 |
| LogP ≤ 5 | 5.68 |
| 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-4-[(E)-2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]benzene?
The IUPAC name of 1-methyl-4-[(E)-2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]benzene (CID 23652184) is 1-methyl-4-[(E)-2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]benzene.
What is the SMILES notation for 1-methyl-4-[(E)-2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]benzene?
The canonical SMILES for 1-methyl-4-[(E)-2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]benzene is C/C(=C\C(C)(C)c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(E)-2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]benzene?
The InChIKey is FVJIZIVTXZHFKR-SAPNQHFASA-N. The full InChI is InChI=1S/C20H24/c1-15-6-10-18(11-7-15)17(3)14-20(4,5)19-12-8-16(2)9-13-19/h6-14H,1-5H3/b17-14+.
What are the key properties of 1-methyl-4-[(E)-2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]benzene?
1-methyl-4-[(E)-2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]benzene has a molecular weight of 264.41 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]benzene is sourced from PubChem (CID 23652184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).