A1DOZ
Summary
| Name: | (1S)-5-hydroxy-1,6-dihydro[1,1'-biphenyl]-3(2H)-one |
| Formula: | C12 H12 O2 |
| Formal charge: | 0 |
| Formula weight: | 188.222 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (1S)-5-hydroxy-1,6-dihydro[1,1'-biphenyl]-3(2H)-one |
| OpenEye OEToolkits | 3.1.0.0 | (5~{S})-3-oxidanyl-5-phenyl-cyclohex-2-en-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OC=1CC(CC(=O)C=1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C12H12O2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-5,8,10,13H,6-7H2/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | ZFVDSCASCRHXCP-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1=CC(=O)C[C@H](C1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | OC1=CC(=O)C[CH](C1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)[C@H]2CC(=CC(=O)C2)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)C2CC(=CC(=O)C2)O |
