0L8
Summary
| Name: | 2'-bromo-6'-(furan-3-yl)-4'-(hydroxymethyl)biphenyl-4-ol |
| Formula: | C17 H13 Br O3 |
| Formal charge: | 0 |
| Formula weight: | 345.187 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2'-bromo-6'-(furan-3-yl)-4'-(hydroxymethyl)biphenyl-4-ol |
| OpenEye OEToolkits | 1.7.6 | 4-[2-bromanyl-6-(furan-3-yl)-4-(hydroxymethyl)phenyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1cc(cc(c1c2ccc(O)cc2)c3ccoc3)CO |
| InChI | InChI | 1.03 | InChI=1S/C17H13BrO3/c18-16-8-11(9-19)7-15(13-5-6-21-10-13)17(16)12-1-3-14(20)4-2-12/h1-8,10,19-20H,9H2 |
| InChIKey | InChI | 1.03 | VXUYUWOEWFNCIK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OCc1cc(Br)c(c2ccc(O)cc2)c(c1)c3cocc3 |
| SMILES | CACTVS | 3.370 | OCc1cc(Br)c(c2ccc(O)cc2)c(c1)c3cocc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2c(cc(cc2Br)CO)c3ccoc3)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2c(cc(cc2Br)CO)c3ccoc3)O |
