XQ1
Summary
| Name: | [6-(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid |
| Formula: | C17 H14 O4 |
| Formal charge: | 0 |
| Formula weight: | 282.291 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [6-(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid |
| OpenEye OEToolkits | 2.0.7 | 2-[6-(3-methoxyphenyl)-1-benzofuran-3-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccc(OC)cc1c2ccc3c(coc3c2)CC(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C17H14O4/c1-20-14-4-2-3-11(7-14)12-5-6-15-13(9-17(18)19)10-21-16(15)8-12/h2-8,10H,9H2,1H3,(H,18,19) |
| InChIKey | InChI | 1.03 | BYTREUVWMDHJCQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)c2ccc3c(CC(O)=O)coc3c2 |
| SMILES | CACTVS | 3.385 | COc1cccc(c1)c2ccc3c(CC(O)=O)coc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)c2ccc3c(c2)occ3CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)c2ccc3c(c2)occ3CC(=O)O |
