0XV
Summary
| Name: | (4-hydroxy-3,5-dimethylphenyl)(2-methyl-1-benzofuran-3-yl)methanone |
| Formula: | C18 H16 O3 |
| Formal charge: | 0 |
| Formula weight: | 280.318 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4-hydroxy-3,5-dimethylphenyl)(2-methyl-1-benzofuran-3-yl)methanone |
| OpenEye OEToolkits | 1.7.6 | (3,5-dimethyl-4-oxidanyl-phenyl)-(2-methyl-1-benzofuran-3-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1c2ccccc2oc1C)c3cc(c(O)c(c3)C)C |
| InChI | InChI | 1.03 | InChI=1S/C18H16O3/c1-10-8-13(9-11(2)17(10)19)18(20)16-12(3)21-15-7-5-4-6-14(15)16/h4-9,19H,1-3H3 |
| InChIKey | InChI | 1.03 | CIXADHNQIHMLIL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1oc2ccccc2c1C(=O)c3cc(C)c(O)c(C)c3 |
| SMILES | CACTVS | 3.370 | Cc1oc2ccccc2c1C(=O)c3cc(C)c(O)c(C)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(cc(c1O)C)C(=O)c2c(oc3c2cccc3)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(cc(c1O)C)C(=O)c2c(oc3c2cccc3)C |
