IO2
Summary
| Name: | 2-(4-phenylmethoxyphenyl)ethanoic acid |
| Formula: | C15 H14 O3 |
| Formal charge: | 0 |
| Formula weight: | 242.27 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 2-(4-phenylmethoxyphenyl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H14O3/c16-15(17)10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,16,17) |
| InChIKey | InChI | 1.03 | XJHGAJLIKDAOPE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1ccc(OCc2ccccc2)cc1 |
| SMILES | CACTVS | 3.385 | OC(=O)Cc1ccc(OCc2ccccc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)COc2ccc(cc2)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)COc2ccc(cc2)CC(=O)O |
