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2,3,4,5-Tetrabromo-6-(2,4-dibromophenoxy)phenol

PubChem CID: 9986835

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Compound Synonyms 111863-67-3, Phenol, 2,3,4,5-tetrabromo-6-(2,4-dibromophenoxy)-, 2,3,4,5-tetrabromo-6-(2,4-dibromophenoxy)phenol, 8K0A2EQF1O, 6-OH-Bde 137, UNII-8K0A2EQF1O, CHEMBL362761, 6-Hydroxy-2,2',3,4,4',5-hexabromodiphenylether, 3,4,5,6-Tetrabromo-2-(2',4'-dibromo-phenoxy)-phenol, 2-(2,4-Bis(bromanyl)phenoxy)-3,4,5,6-tetrakis(bromanyl)phenol, 2,3,4,5-Tetrabromo-6-(2,4-dibromo-phenoxy)-phenol, DTXSID50433647, BDBM50150785, PD180113, 2,3,4,5-tetrabromo-6-(2',4'-dibromophenoxy)phenol, 2-(2'',4''-dibromophenoxy-3,4,5,6-tetrabromophenol, 3,4,5,6-tetrabromo-2-(2'',4''-dibromophenoxy)phenol
Topological Polar Surface Area 29.5
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 20.0
Isotope Atom Count 0.0
Molecular Complexity 333.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P18054, P16050, n.a.
Iupac Name 2,3,4,5-tetrabromo-6-(2,4-dibromophenoxy)phenol
Prediction Hob 1.0
Target Id NPT1119, NPT792
Xlogp 7.2
Molecular Formula C12H4Br6O2
Prediction Swissadme 0.0
Inchi Key LDMKXEGTHGJWLG-UHFFFAOYSA-N
Fcsp3 0.0
Logs -8.387
Rotatable Bond Count 2.0
Logd 2.814
Compound Name 2,3,4,5-Tetrabromo-6-(2,4-dibromophenoxy)phenol
Prediction Hob Swissadme 0.0
Exact Mass 659.525
Formal Charge 0.0
Monoisotopic Mass 653.531
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 659.6
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -8.764833200000002
Inchi InChI=1S/C12H4Br6O2/c13-4-1-2-6(5(14)3-4)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-3,19H
Smiles C1=CC(=C(C=C1Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)O
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Achillea Leptophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Alibertia Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Dioscorea Futschauensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Dorstenia Barnimiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Oxybasis Urbica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Rubia Ustulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Sedum Forsterianum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Uvaria Mocoli (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Verbascum Georgicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Viguiera Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Zieria Chevalieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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