A1LWH
Summary
| Name: | Tapinarof |
| Synonyms: | 5-[(E)-2-phenylethenyl]-2-propan-2-yl-benzene-1,3-diol DB06083 |
| Formula: | C17 H18 O2 |
| Formal charge: | 0 |
| Formula weight: | 254.324 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[(~{E})-2-phenylethenyl]-2-propan-2-yl-benzene-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H18O2/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13/h3-12,18-19H,1-2H3/b9-8+ |
| InChIKey | InChI | 1.06 | ZISJNXNHJRQYJO-CMDGGOBGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1c(O)cc(/C=C/c2ccccc2)cc1O |
| SMILES | CACTVS | 3.385 | CC(C)c1c(O)cc(C=Cc2ccccc2)cc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)c1c(cc(cc1O)/C=C/c2ccccc2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)c1c(cc(cc1O)C=Cc2ccccc2)O |
