2TK
Summary
| Name: | 2-(2-bromophenoxy)-5-hexylphenol |
| Formula: | C18 H21 Br O2 |
| Formal charge: | 0 |
| Formula weight: | 349.262 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(2-bromophenoxy)-5-hexylphenol |
| OpenEye OEToolkits | 1.7.6 | 2-(2-bromanylphenoxy)-5-hexyl-phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc2ccccc2Oc1ccc(cc1O)CCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C18H21BrO2/c1-2-3-4-5-8-14-11-12-18(16(20)13-14)21-17-10-7-6-9-15(17)19/h6-7,9-13,20H,2-5,8H2,1H3 |
| InChIKey | InChI | 1.03 | XMFJZZCTDKMLKQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCc1ccc(Oc2ccccc2Br)c(O)c1 |
| SMILES | CACTVS | 3.385 | CCCCCCc1ccc(Oc2ccccc2Br)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCc1ccc(c(c1)O)Oc2ccccc2Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCc1ccc(c(c1)O)Oc2ccccc2Br |
