HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 69964759Generated: October 27, 2026
1-[4-(5-Benzyloxypyrimidin-2-yl) phenyl]-4-pentylbicyclo[2.2.2]octane
https://huagongshe.com/en/chemical/69964759
Identifiers & Physical Properties
| Molecular formula | C30H36N2O |
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| Average molar mass | 440.6 g/mol |
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| SMILES | CCCCCC12CCC(c3ccc(-c4ncc(OCc5ccccc5)cn4)cc3)(CC1)CC2 |
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| InChIKey | WKOSHCMQKPUJHF-UHFFFAOYSA-N |
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| PubChem CID | 69964759 |
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Chemical & Physical Properties
| XLogP | 9 |
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| Topological polar surface area | 35 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 9 |
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| Heavy atoms | 33 |
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| Formal charge | 0 |
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| Complexity | 560 |
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![1-[4-(5-Benzyloxypyrimidin-2-yl) phenyl]-4-pentylbicyclo[2.2.2]octane molecular structure](/img/chemical/69964759.png)