2,4-dibromo-3-(2,4-dibromophenoxy)phenol

C12H6Br4O2 — CID 139597677

IUPAC2,4-dibromo-3-(2,4-dibromophenoxy)phenol
SMILESOc1ccc(Br)c(Oc2ccc(Br)cc2Br)c1Br
InChIInChI=1S/C12H6Br4O2/c13-6-1-4-10(8(15)5-6)18-12-7(14)2-3-9(17)11(12)16/h1-5,17H
InChIKeyWMWMDGKRWPECMY-UHFFFAOYSA-N
MW501.79 g/mol
LogP6.23
Rot. Bonds2

About 2,4-dibromo-3-(2,4-dibromophenoxy)phenol

2,4-dibromo-3-(2,4-dibromophenoxy)phenol (PubChem CID 139597677) has the molecular formula C12H6Br4O2 and a molecular weight of 501.79 g/mol. Its IUPAC name is 2,4-dibromo-3-(2,4-dibromophenoxy)phenol.

Molecular Properties

Compound Name2,4-dibromo-3-(2,4-dibromophenoxy)phenol
PubChem CID139597677
Molecular FormulaC12H6Br4O2
Molecular Weight501.79 g/mol
Exact Mass497.71
IUPAC Name2,4-dibromo-3-(2,4-dibromophenoxy)phenol
SMILESOc1ccc(Br)c(Oc2ccc(Br)cc2Br)c1Br
InChIInChI=1S/C12H6Br4O2/c13-6-1-4-10(8(15)5-6)18-12-7(14)2-3-9(17)11(12)16/h1-5,17H
InChIKeyWMWMDGKRWPECMY-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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Related Compounds

3,5-dibromo-2-(2,4-dibromophenoxy)benzene-1,4-diol
CID 102140384
2-bromo-5-(2,4-dibromophenoxy)phenol
CID 11015373
1,4-dibromo-2-(2,4-dibromophenoxy)benzene
CID 15509892
1,2,3-tribromo-5-(2,4-dibromophenoxy)benzene
CID 86208553
3,4,5-tribromo-2-(2,3-dibromo-4-hydroxyphenoxy)phenol
CID 20847463
bis(2,4-dibromophenyl) carbonate
CID 54492294
1,2,3,4,5-pentabromo-6-(2,5-dibromophenoxy)benzene
CID 71362095
4-bromo-2-(5-bromo-2-fluorophenoxy)-3-fluorophenol
CID 54022068
1,2,3,5-tetrabromo-4-(2,5-dibromophenoxy)benzene
CID 86208455
2,4-dibromophenol;methanol
CID 174690931
[4-(2,4-dibromophenoxy)-3,5-difluorophenyl]methanamine
CID 64720890
1,5-dibromo-3-(2,4-dibromophenoxy)-2-methoxybenzene
CID 15884894

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-3-(2,4-dibromophenoxy)phenol?
The IUPAC name of 2,4-dibromo-3-(2,4-dibromophenoxy)phenol (CID 139597677) is 2,4-dibromo-3-(2,4-dibromophenoxy)phenol.
What is the SMILES notation for 2,4-dibromo-3-(2,4-dibromophenoxy)phenol?
The canonical SMILES for 2,4-dibromo-3-(2,4-dibromophenoxy)phenol is Oc1ccc(Br)c(Oc2ccc(Br)cc2Br)c1Br.
What is the InChIKey of 2,4-dibromo-3-(2,4-dibromophenoxy)phenol?
The InChIKey is WMWMDGKRWPECMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br4O2/c13-6-1-4-10(8(15)5-6)18-12-7(14)2-3-9(17)11(12)16/h1-5,17H.
What are the key properties of 2,4-dibromo-3-(2,4-dibromophenoxy)phenol?
2,4-dibromo-3-(2,4-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-3-(2,4-dibromophenoxy)phenol is sourced from PubChem (CID 139597677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).