2-((2-((6-Bromohexyl)oxy)ethoxy)methyl)-1,3-dichlorobenzene
PubChem CID: 66844903
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| Compound Synonyms | 503070-57-3, 2-[2-(6-Bromohexyloxy)ethoxymethyl]-1,3-dichlorobenzene, 2-((2-((6-bromohexyl)oxy)ethoxy)methyl)-1,3-dichlorobenzene, Benzene, 2-[[2-[(6-broMohexyl)oxy]ethoxy]Methyl]-1,3-dichloro, 2-[2-(6-bromohexoxy)ethoxymethyl]-1,3-dichlorobenzene, MFCD21337362, 2-[[2-[(6-Bromohexyl)oxy]ethoxy]methyl]-1,3-dichlorobenzene, 2-(2-(6-bromohexyloxy)ethoxymethyl)-1,3-dichlorobenzene, 2-({2-[(6-Bromohexyl)oxy]ethoxy}methyl)-1,3-dichlorobenzene, Vilanterol intermediate, C15H21BrCl2O2, 4UXW94FP9H, SCHEMBL924842, BCP17123, Benzene, 2-[[2-[(6-bromohexyl)oxy]ethoxy]methyl]-1,3-dichloro-, CS-M2591, DVA07057, AKOS027250612, AC-30864, DS-12378, SY046035, F11658, 2-[2-(6-Bromo-hexyloxy)-ethoxvmethyl]-1,3-dichloro-benzene, 2-[2-(6-bromo-hexyloxy)-ethoxymethyl]-1,3-dichloro-benzene, 811-292-1 |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 222.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[2-(6-bromohexoxy)ethoxymethyl]-1,3-dichlorobenzene |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C15H21BrCl2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AKLUHFHHUBIDQA-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -5.431 |
| Rotatable Bond Count | 11.0 |
| Logd | 3.757 |
| Compound Name | 2-((2-((6-Bromohexyl)oxy)ethoxy)methyl)-1,3-dichlorobenzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 382.01 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.01 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 384.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.7857742000000005 |
| Inchi | InChI=1S/C15H21BrCl2O2/c16-8-3-1-2-4-9-19-10-11-20-12-13-14(17)6-5-7-15(13)18/h5-7H,1-4,8-12H2 |
| Smiles | C1=CC(=C(C(=C1)Cl)COCCOCCCCCCBr)Cl |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients