3,5-dibromo-2-(2,4-dibromophenoxy)benzene-1,4-diol

C12H6Br4O3 — CID 102140384

IUPAC3,5-dibromo-2-(2,4-dibromophenoxy)benzene-1,4-diol
SMILESOc1cc(Br)c(O)c(Br)c1Oc1ccc(Br)cc1Br
InChIInChI=1S/C12H6Br4O3/c13-5-1-2-9(6(14)3-5)19-12-8(17)4-7(15)11(18)10(12)16/h1-4,17-18H
InChIKeyBDEHRCSSFGDNCW-UHFFFAOYSA-N
MW517.79 g/mol
LogP5.94
Rot. Bonds2

About 3,5-dibromo-2-(2,4-dibromophenoxy)benzene-1,4-diol

3,5-dibromo-2-(2,4-dibromophenoxy)benzene-1,4-diol (PubChem CID 102140384) has the molecular formula C12H6Br4O3 and a molecular weight of 517.79 g/mol. Its IUPAC name is 3,5-dibromo-2-(2,4-dibromophenoxy)benzene-1,4-diol.

Molecular Properties

Compound Name3,5-dibromo-2-(2,4-dibromophenoxy)benzene-1,4-diol
PubChem CID102140384
Molecular FormulaC12H6Br4O3
Molecular Weight517.79 g/mol
Exact Mass513.71
IUPAC Name3,5-dibromo-2-(2,4-dibromophenoxy)benzene-1,4-diol
SMILESOc1cc(Br)c(O)c(Br)c1Oc1ccc(Br)cc1Br
InChIInChI=1S/C12H6Br4O3/c13-5-1-2-9(6(14)3-5)19-12-8(17)4-7(15)11(18)10(12)16/h1-4,17-18H
InChIKeyBDEHRCSSFGDNCW-UHFFFAOYSA-N
XLogP5.94
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.79
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-3-(2,4-dibromophenoxy)phenol
CID 139597677
2-bromo-5-(2,4-dibromophenoxy)phenol
CID 11015373
1,2,3-tribromo-5-(2,4-dibromophenoxy)benzene
CID 86208553
3,4,5-tribromo-2-(2,3-dibromo-4-hydroxyphenoxy)phenol
CID 20847463
1,4-dibromo-2-(2,4-dibromophenoxy)benzene
CID 15509892
2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide
CID 79462441
2,5-dibromo-4-(2,4,6-tribromophenoxy)phenol
CID 102420969
[4-(2,4-dibromophenoxy)phenyl]methanol
CID 64720453
4-(2,4-dibromophenoxy)benzene-1,2-diamine
CID 106748492
bis(2,4-dibromophenyl) carbonate
CID 54492294
3,5-dibromo-2-(2,3,5-tribromophenoxy)phenol
CID 102102664
2,4-dibromo-6-(2,6-dibromophenoxy)phenol
CID 125360388

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-(2,4-dibromophenoxy)benzene-1,4-diol?
The IUPAC name of 3,5-dibromo-2-(2,4-dibromophenoxy)benzene-1,4-diol (CID 102140384) is 3,5-dibromo-2-(2,4-dibromophenoxy)benzene-1,4-diol.
What is the SMILES notation for 3,5-dibromo-2-(2,4-dibromophenoxy)benzene-1,4-diol?
The canonical SMILES for 3,5-dibromo-2-(2,4-dibromophenoxy)benzene-1,4-diol is Oc1cc(Br)c(O)c(Br)c1Oc1ccc(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-2-(2,4-dibromophenoxy)benzene-1,4-diol?
The InChIKey is BDEHRCSSFGDNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br4O3/c13-5-1-2-9(6(14)3-5)19-12-8(17)4-7(15)11(18)10(12)16/h1-4,17-18H.
What are the key properties of 3,5-dibromo-2-(2,4-dibromophenoxy)benzene-1,4-diol?
3,5-dibromo-2-(2,4-dibromophenoxy)benzene-1,4-diol has a molecular weight of 517.79 g/mol, XLogP of 5.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-(2,4-dibromophenoxy)benzene-1,4-diol is sourced from PubChem (CID 102140384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).