XIT
Summary
| Name: | 4-(4-hydroxyphenethyl)benzoic acid |
| Synonyms: | 4-[2-(4-hydroxyphenyl)ethyl]benzoic acid |
| Formula: | C15 H14 O3 |
| Formal charge: | 0 |
| Formula weight: | 242.27 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[2-(4-hydroxyphenyl)ethyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H14O3/c16-14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)15(17)18/h3-10,16H,1-2H2,(H,17,18) |
| InChIKey | InChI | 1.06 | WOXPALUGMQGUKB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(CCc2ccc(O)cc2)cc1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(CCc2ccc(O)cc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCc2ccc(cc2)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCc2ccc(cc2)O)C(=O)O |
