9IX
Summary
| Name: | 2-methyl-5-(propan-2-yl)benzene-1,4-diol |
| Synonyms: | Thymoquinone |
| Formula: | C10 H14 O2 |
| Formal charge: | 0 |
| Formula weight: | 166.217 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-methyl-5-(propan-2-yl)benzene-1,4-diol |
| OpenEye OEToolkits | 2.0.7 | 2-methyl-5-propan-2-yl-benzene-1,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)c1cc(O)c(C)cc1O |
| InChI | InChI | 1.03 | InChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,11-12H,1-3H3 |
| InChIKey | InChI | 1.03 | OQIOHYHRGZNZCW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1cc(O)c(C)cc1O |
| SMILES | CACTVS | 3.385 | CC(C)c1cc(O)c(C)cc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(cc1O)C(C)C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(cc1O)C(C)C)O |
