2-bromo-6-(2,6-dibromophenoxy)phenol

C12H7Br3O2 — CID 125324899

IUPAC2-bromo-6-(2,6-dibromophenoxy)phenol
SMILESOc1c(Br)cccc1Oc1c(Br)cccc1Br
InChIInChI=1S/C12H7Br3O2/c13-7-3-2-6-10(11(7)16)17-12-8(14)4-1-5-9(12)15/h1-6,16H
InChIKeyZKCAFFWTMLKRSO-UHFFFAOYSA-N
MW422.90 g/mol
LogP5.47
Rot. Bonds2

About 2-bromo-6-(2,6-dibromophenoxy)phenol

2-bromo-6-(2,6-dibromophenoxy)phenol (PubChem CID 125324899) has the molecular formula C12H7Br3O2 and a molecular weight of 422.90 g/mol. Its IUPAC name is 2-bromo-6-(2,6-dibromophenoxy)phenol.

Molecular Properties

Compound Name2-bromo-6-(2,6-dibromophenoxy)phenol
PubChem CID125324899
Molecular FormulaC12H7Br3O2
Molecular Weight422.90 g/mol
Exact Mass419.80
IUPAC Name2-bromo-6-(2,6-dibromophenoxy)phenol
SMILESOc1c(Br)cccc1Oc1c(Br)cccc1Br
InChIInChI=1S/C12H7Br3O2/c13-7-3-2-6-10(11(7)16)17-12-8(14)4-1-5-9(12)15/h1-6,16H
InChIKeyZKCAFFWTMLKRSO-UHFFFAOYSA-N
XLogP5.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.90
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-6-(2,6-dibromophenoxy)phenol
CID 125360388
2-bromo-6-prop-2-enoxyphenol
CID 170987480
2-bromo-6-phenylmethoxyphenol
CID 67346586
1-bromo-2-(2-bromophenoxy)benzene
CID 3465096
1,3-dibromo-2-[2-(2,6-dibromophenoxy)cyclopenten-1-yl]oxybenzene
CID 54482640
1-bromo-2-methoxy-3-nitrobenzene;2-bromo-6-nitrophenol
CID 159929831
2-bromo-6-(2-hydroxyethyl)phenol
CID 57283538
8-bromophenanthren-1-ol
CID 171484061
2-[2,3-bis(2-hydroxyphenoxy)phenoxy]phenol
CID 139940614
2-(2,6-dibromophenoxy)-1,3-thiazole
CID 91068222
3-(2-bromo-6-methoxyphenoxy)cyclobutan-1-ol
CID 83134535
1-bromo-2-cyclobutyloxy-3-methoxybenzene
CID 84709057

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2,6-dibromophenoxy)phenol?
The IUPAC name of 2-bromo-6-(2,6-dibromophenoxy)phenol (CID 125324899) is 2-bromo-6-(2,6-dibromophenoxy)phenol.
What is the SMILES notation for 2-bromo-6-(2,6-dibromophenoxy)phenol?
The canonical SMILES for 2-bromo-6-(2,6-dibromophenoxy)phenol is Oc1c(Br)cccc1Oc1c(Br)cccc1Br.
What is the InChIKey of 2-bromo-6-(2,6-dibromophenoxy)phenol?
The InChIKey is ZKCAFFWTMLKRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br3O2/c13-7-3-2-6-10(11(7)16)17-12-8(14)4-1-5-9(12)15/h1-6,16H.
What are the key properties of 2-bromo-6-(2,6-dibromophenoxy)phenol?
2-bromo-6-(2,6-dibromophenoxy)phenol has a molecular weight of 422.90 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2,6-dibromophenoxy)phenol is sourced from PubChem (CID 125324899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).