PDB CCD ID: | 5JX |
Number of entries in BioLiP: | 2 |
Chemical formula: | C20 H21 F O2 |
InChI: | InChI=1S/C20H21FO2/c21-13-14-1-3-15(4-2-14)20(16-5-9-18(22)10-6-16)17-7-11-19(23)12-8-17/h5-12,14,22-23H,1-4,13H2 |
InChIKey: | RNELYPCZWXQACW-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | Oc1ccc(cc1)[C](=[C]2CC[CH](CF)CC2)c3ccc(O)cc3 | ACDLabs 12.01 | Oc3ccc(/C(c1ccc(cc1)O)=C2/CCC(CC2)CF)cc3 | OpenEye OEToolkits 1.9.2 | c1cc(ccc1C(=C2CCC(CC2)CF)c3ccc(cc3)O)O |
|
Name: | 4,4'-{[4-(fluoromethyl)cyclohexylidene]methanediyl}diphenol |
ChEMBL: | CHEMBL205375 |
ZINC: | ZINC000013685652 |