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2,4-Dibromo-6-(2,4-Dibromophenoxy)Phenol

PubChem CID: 4563

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Compound Synonyms 2,4-dibromo-6-(2,4-dibromophenoxy)phenol, MLS000563511, 80246-25-9, DTXSID50903991, 2'-OH-BDE68, SMR000232324, 2OH-BDE68, cid_4563, CHEMBL254576, BDBM57619, DTXCID50900561, NSC714359, NSC-714359, 2'-Hydroxy-2,3',4,5'-tetrabromodiphenylether, 2'-hydroxy-2,3',4,5'-tetrabromodiphenyl ether, 2-[2,4-bis(bromanyl)phenoxy]-4,6-bis(bromanyl)phenol
Topological Polar Surface Area 29.5
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 18.0
Isotope Atom Count 0.0
Molecular Complexity 279.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q07820, P02545, P42858, Q16637, P10636, Q962Y6, Q194T2, P02791, Q03164, P15428, P51450, Q13315, P10520, Q96KQ7, Q13951, C4YTQ8, O75496, n.a.
Iupac Name 2,4-dibromo-6-(2,4-dibromophenoxy)phenol
Prediction Hob 1.0
Target Id NPT483, NPT1197, NPT93, NPT51, NPT151, NPT524
Xlogp 5.9
Molecular Formula C12H6Br4O2
Prediction Swissadme 0.0
Inchi Key QEPYTQFGTBSZQY-UHFFFAOYSA-N
Fcsp3 0.0
Logs -6.585
Rotatable Bond Count 2.0
Logd 2.685
Compound Name 2,4-Dibromo-6-(2,4-Dibromophenoxy)Phenol
Prediction Hob Swissadme 0.0
Exact Mass 501.706
Formal Charge 0.0
Monoisotopic Mass 497.71
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 501.79
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -6.960156133333333
Inchi InChI=1S/C12H6Br4O2/c13-6-1-2-10(8(15)3-6)18-11-5-7(14)4-9(16)12(11)17/h1-5,17H
Smiles C1=CC(=C(C=C1Br)Br)OC2=C(C(=CC(=C2)Br)Br)O
Nring 2.0
Defined Bond Stereocenter Count 0.0