About 1-methyl-2-(2-methylphenyl)-1H-indene
1-methyl-2-(2-methylphenyl)-1H-indene (PubChem CID 140997796) has the molecular formula C17H16
and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-methyl-2-(2-methylphenyl)-1H-indene.
Molecular Properties
| Compound Name | 1-methyl-2-(2-methylphenyl)-1H-indene |
| PubChem CID | 140997796 |
| Molecular Formula | C17H16 |
| Molecular Weight | 220.31 g/mol |
| Exact Mass | 220.13 |
| IUPAC Name | 1-methyl-2-(2-methylphenyl)-1H-indene |
| SMILES | Cc1ccccc1C1=Cc2ccccc2C1C |
| InChI | InChI=1S/C17H16/c1-12-7-3-5-9-15(12)17-11-14-8-4-6-10-16(14)13(17)2/h3-11,13H,1-2H3 |
| InChIKey | ICMVIZOCRGCYAZ-UHFFFAOYSA-N |
| XLogP | 4.65 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 1 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 220.31 |
| LogP ≤ 5 | 4.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'stilbene', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of 1-methyl-2-(2-methylphenyl)-1H-indene?
The IUPAC name of 1-methyl-2-(2-methylphenyl)-1H-indene (CID 140997796) is 1-methyl-2-(2-methylphenyl)-1H-indene.
What is the SMILES notation for 1-methyl-2-(2-methylphenyl)-1H-indene?
The canonical SMILES for 1-methyl-2-(2-methylphenyl)-1H-indene is Cc1ccccc1C1=Cc2ccccc2C1C.
What is the InChIKey of 1-methyl-2-(2-methylphenyl)-1H-indene?
The InChIKey is ICMVIZOCRGCYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-12-7-3-5-9-15(12)17-11-14-8-4-6-10-16(14)13(17)2/h3-11,13H,1-2H3.
What are the key properties of 1-methyl-2-(2-methylphenyl)-1H-indene?
1-methyl-2-(2-methylphenyl)-1H-indene has a molecular weight of 220.31 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylphenyl)-1H-indene is sourced from PubChem (CID 140997796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).