About ethene;1-methyl-2-(2-methylphenyl)benzene
ethene;1-methyl-2-(2-methylphenyl)benzene (PubChem CID 145078997) has the molecular formula C16H18
and a molecular weight of 210.32 g/mol. Its IUPAC name is ethene;1-methyl-2-(2-methylphenyl)benzene.
Molecular Properties
| Compound Name | ethene;1-methyl-2-(2-methylphenyl)benzene |
| PubChem CID | 145078997 |
| Molecular Formula | C16H18 |
| Molecular Weight | 210.32 g/mol |
| Exact Mass | 210.14 |
| IUPAC Name | ethene;1-methyl-2-(2-methylphenyl)benzene |
| SMILES | C=C.Cc1ccccc1-c1ccccc1C |
| InChI | InChI=1S/C14H14.C2H4/c1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-2/h3-10H,1-2H3;1-2H2 |
| InChIKey | LAGUMNPUFIMXLB-UHFFFAOYSA-N |
| XLogP | 4.77 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 1 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 210.32 |
| LogP ≤ 5 | 4.77 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of ethene;1-methyl-2-(2-methylphenyl)benzene?
The IUPAC name of ethene;1-methyl-2-(2-methylphenyl)benzene (CID 145078997) is ethene;1-methyl-2-(2-methylphenyl)benzene.
What is the SMILES notation for ethene;1-methyl-2-(2-methylphenyl)benzene?
The canonical SMILES for ethene;1-methyl-2-(2-methylphenyl)benzene is C=C.Cc1ccccc1-c1ccccc1C.
What is the InChIKey of ethene;1-methyl-2-(2-methylphenyl)benzene?
The InChIKey is LAGUMNPUFIMXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C2H4/c1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-2/h3-10H,1-2H3;1-2H2.
What are the key properties of ethene;1-methyl-2-(2-methylphenyl)benzene?
ethene;1-methyl-2-(2-methylphenyl)benzene has a molecular weight of 210.32 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-methyl-2-(2-methylphenyl)benzene is sourced from PubChem (CID 145078997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).