About 1-cyclohexyl-4-ethenoxybenzene
1-cyclohexyl-4-ethenoxybenzene (PubChem CID 67464363) has the molecular formula C14H18O
and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-cyclohexyl-4-ethenoxybenzene.
Molecular Properties
| Compound Name | 1-cyclohexyl-4-ethenoxybenzene |
| PubChem CID | 67464363 |
| Molecular Formula | C14H18O |
| Molecular Weight | 202.30 g/mol |
| Exact Mass | 202.14 |
| IUPAC Name | 1-cyclohexyl-4-ethenoxybenzene |
| SMILES | C=COc1ccc(C2CCCCC2)cc1 |
| InChI | InChI=1S/C14H18O/c1-2-15-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h2,8-12H,1,3-7H2 |
| InChIKey | BKZJLWOLNFGUFK-UHFFFAOYSA-N |
| XLogP | 4.26 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 202.30 |
| LogP ≤ 5 | 4.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-cyclohexyl-4-ethenoxybenzene?
The IUPAC name of 1-cyclohexyl-4-ethenoxybenzene (CID 67464363) is 1-cyclohexyl-4-ethenoxybenzene.
What is the SMILES notation for 1-cyclohexyl-4-ethenoxybenzene?
The canonical SMILES for 1-cyclohexyl-4-ethenoxybenzene is C=COc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-4-ethenoxybenzene?
The InChIKey is BKZJLWOLNFGUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-2-15-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h2,8-12H,1,3-7H2.
What are the key properties of 1-cyclohexyl-4-ethenoxybenzene?
1-cyclohexyl-4-ethenoxybenzene has a molecular weight of 202.30 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-ethenoxybenzene is sourced from PubChem (CID 67464363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).