IP0
Summary
| Name: | 2-(1-methylethyl)phenol |
| Formula: | C9 H12 O |
| Formal charge: | 0 |
| Formula weight: | 136.191 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(1-methylethyl)phenol |
| OpenEye OEToolkits | 1.5.0 | 2-propan-2-ylphenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Oc1ccccc1C(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)c1ccccc1O |
| SMILES | CACTVS | 3.341 | CC(C)c1ccccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)c1ccccc1O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)c1ccccc1O |
| InChI | InChI | 1.03 | InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3 |
| InChIKey | InChI | 1.03 | CRBJBYGJVIBWIY-UHFFFAOYSA-N |
