HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 54200375Generated: October 31, 2026
4-{2-[3-Bromo-5-(8-phenyl-octylcarbamoyl)-3'-trifluoromethyl-biphenyl-2-yloxy]-ethoxy}-2-hydroxy-benzoic acid methyl ester
https://huagongshe.com/en/chemical/54200375
Identifiers & Physical Properties
| Molecular formula | C38H39BrF3NO6 |
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| Average molar mass | 742.6 g/mol |
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| Monoisotopic mass | 741.19129 g/mol |
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| SMILES | COC(=O)c1ccc(OCCOc2c(Br)cc(C(=O)NCCCCCCCCc3ccccc3)cc2-c2cccc(C(F)(F)F)c2)cc1O |
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| InChIKey | POUUOUXHZNXFJK-UHFFFAOYSA-N |
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| PubChem CID | 54200375 |
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Chemical & Physical Properties
| XLogP | 10.9 |
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| Topological polar surface area | 94.1 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 9 |
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| Rotatable bonds | 18 |
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| Heavy atoms | 49 |
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| Formal charge | 0 |
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| Complexity | 982 |
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![4-{2-[3-Bromo-5-(8-phenyl-octylcarbamoyl)-3'-trifluoromethyl-biphenyl-2-yloxy]-ethoxy}-2-hydroxy-benzoic acid methyl ester molecular structure](/img/chemical/54200375.png)