SS1
Summary
| Name: | 1-PHENYLETHANOL |
| Synonyms: | (1S)-1-PHENYL-ETHANOL |
| Formula: | C8 H10 O |
| Formal charge: | 0 |
| Formula weight: | 122.164 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1S)-1-phenylethanol |
| OpenEye OEToolkits | 1.5.0 | (1S)-1-phenylethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC(c1ccccc1)C |
| InChI | InChI | 1.03 | InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | WAPNOHKVXSQRPX-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)c1ccccc1 |
| SMILES | CACTVS | 3.385 | C[CH](O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | C[C@@H](c1ccccc1)O |
| SMILES | OpenEye OEToolkits | 1.7.5 | CC(c1ccccc1)O |
