About 2-(2-methylphenyl)-9-prop-1-en-2-yl-9H-fluorene
2-(2-methylphenyl)-9-prop-1-en-2-yl-9H-fluorene (PubChem CID 163547179) has the molecular formula C23H20
and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-(2-methylphenyl)-9-prop-1-en-2-yl-9H-fluorene.
Molecular Properties
| Compound Name | 2-(2-methylphenyl)-9-prop-1-en-2-yl-9H-fluorene |
| PubChem CID | 163547179 |
| Molecular Formula | C23H20 |
| Molecular Weight | 296.41 g/mol |
| Exact Mass | 296.16 |
| IUPAC Name | 2-(2-methylphenyl)-9-prop-1-en-2-yl-9H-fluorene |
| SMILES | C=C(C)C1c2ccccc2-c2ccc(-c3ccccc3C)cc21 |
| InChI | InChI=1S/C23H20/c1-15(2)23-21-11-7-6-10-19(21)20-13-12-17(14-22(20)23)18-9-5-4-8-16(18)3/h4-14,23H,1H2,2-3H3 |
| InChIKey | FGAIZSDJJWCAMG-UHFFFAOYSA-N |
| XLogP | 6.35 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 2 |
| Heavy Atoms | 23 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 296.41 |
| LogP ≤ 5 | 6.35 |
| 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 2-(2-methylphenyl)-9-prop-1-en-2-yl-9H-fluorene?
The IUPAC name of 2-(2-methylphenyl)-9-prop-1-en-2-yl-9H-fluorene (CID 163547179) is 2-(2-methylphenyl)-9-prop-1-en-2-yl-9H-fluorene.
What is the SMILES notation for 2-(2-methylphenyl)-9-prop-1-en-2-yl-9H-fluorene?
The canonical SMILES for 2-(2-methylphenyl)-9-prop-1-en-2-yl-9H-fluorene is C=C(C)C1c2ccccc2-c2ccc(-c3ccccc3C)cc21.
What is the InChIKey of 2-(2-methylphenyl)-9-prop-1-en-2-yl-9H-fluorene?
The InChIKey is FGAIZSDJJWCAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20/c1-15(2)23-21-11-7-6-10-19(21)20-13-12-17(14-22(20)23)18-9-5-4-8-16(18)3/h4-14,23H,1H2,2-3H3.
What are the key properties of 2-(2-methylphenyl)-9-prop-1-en-2-yl-9H-fluorene?
2-(2-methylphenyl)-9-prop-1-en-2-yl-9H-fluorene has a molecular weight of 296.41 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-9-prop-1-en-2-yl-9H-fluorene is sourced from PubChem (CID 163547179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).