FJ4
Summary
| Name: | 1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone |
| Formula: | C15 H13 Cl O4 |
| Formal charge: | 0 |
| Formula weight: | 292.714 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone |
| OpenEye OEToolkits | 1.7.6 | 1-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-2-(4-methoxyphenyl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(c(O)cc1O)C(=O)Cc2ccc(OC)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C15H13ClO4/c1-20-10-4-2-9(3-5-10)6-13(17)11-7-12(16)15(19)8-14(11)18/h2-5,7-8,18-19H,6H2,1H3 |
| InChIKey | InChI | 1.03 | JBCBFFFUINBPCU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CC(=O)c2cc(Cl)c(O)cc2O)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(CC(=O)c2cc(Cl)c(O)cc2O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1)CC(=O)c2cc(c(cc2O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1)CC(=O)c2cc(c(cc2O)O)Cl |
