2UV
Summary
| Name: | 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid |
| Formula: | C16 H16 O3 |
| Formal charge: | 0 |
| Formula weight: | 256.296 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 2-oxidanyl-5-(4-propylphenyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cc(ccc1O)c2ccc(cc2)CCC |
| InChI | InChI | 1.03 | InChI=1S/C16H16O3/c1-2-3-11-4-6-12(7-5-11)13-8-9-15(17)14(10-13)16(18)19/h4-10,17H,2-3H2,1H3,(H,18,19) |
| InChIKey | InChI | 1.03 | UJKHDAKYKWKQAC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCc1ccc(cc1)c2ccc(O)c(c2)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCc1ccc(cc1)c2ccc(O)c(c2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCc1ccc(cc1)c2ccc(c(c2)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCc1ccc(cc1)c2ccc(c(c2)C(=O)O)O |
