2,4-dibromo-6-(2,6-dibromophenoxy)phenol

C12H6Br4O2 — CID 125360388

IUPAC2,4-dibromo-6-(2,6-dibromophenoxy)phenol
SMILESOc1c(Br)cc(Br)cc1Oc1c(Br)cccc1Br
InChIInChI=1S/C12H6Br4O2/c13-6-4-9(16)11(17)10(5-6)18-12-7(14)2-1-3-8(12)15/h1-5,17H
InChIKeyPTBABWOWPYFWEG-UHFFFAOYSA-N
MW501.79 g/mol
LogP6.23
Rot. Bonds2

About 2,4-dibromo-6-(2,6-dibromophenoxy)phenol

2,4-dibromo-6-(2,6-dibromophenoxy)phenol (PubChem CID 125360388) has the molecular formula C12H6Br4O2 and a molecular weight of 501.79 g/mol. Its IUPAC name is 2,4-dibromo-6-(2,6-dibromophenoxy)phenol.

Molecular Properties

Compound Name2,4-dibromo-6-(2,6-dibromophenoxy)phenol
PubChem CID125360388
Molecular FormulaC12H6Br4O2
Molecular Weight501.79 g/mol
Exact Mass497.71
IUPAC Name2,4-dibromo-6-(2,6-dibromophenoxy)phenol
SMILESOc1c(Br)cc(Br)cc1Oc1c(Br)cccc1Br
InChIInChI=1S/C12H6Br4O2/c13-6-4-9(16)11(17)10(5-6)18-12-7(14)2-1-3-8(12)15/h1-5,17H
InChIKeyPTBABWOWPYFWEG-UHFFFAOYSA-N
XLogP6.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.79
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(2,6-dibromophenoxy)phenol?
The IUPAC name of 2,4-dibromo-6-(2,6-dibromophenoxy)phenol (CID 125360388) is 2,4-dibromo-6-(2,6-dibromophenoxy)phenol.
What is the SMILES notation for 2,4-dibromo-6-(2,6-dibromophenoxy)phenol?
The canonical SMILES for 2,4-dibromo-6-(2,6-dibromophenoxy)phenol is Oc1c(Br)cc(Br)cc1Oc1c(Br)cccc1Br.
What is the InChIKey of 2,4-dibromo-6-(2,6-dibromophenoxy)phenol?
The InChIKey is PTBABWOWPYFWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br4O2/c13-6-4-9(16)11(17)10(5-6)18-12-7(14)2-1-3-8(12)15/h1-5,17H.
What are the key properties of 2,4-dibromo-6-(2,6-dibromophenoxy)phenol?
2,4-dibromo-6-(2,6-dibromophenoxy)phenol has a molecular weight of 501.79 g/mol, XLogP of 6.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(2,6-dibromophenoxy)phenol is sourced from PubChem (CID 125360388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).