2,4-dibromo-6-(5-bromo-2-hydroxyphenyl)phenol

C12H7Br3O2 — CID 50899959

IUPAC2,4-dibromo-6-(5-bromo-2-hydroxyphenyl)phenol
SMILESOc1ccc(Br)cc1-c1cc(Br)cc(Br)c1O
InChIInChI=1S/C12H7Br3O2/c13-6-1-2-11(16)8(3-6)9-4-7(14)5-10(15)12(9)17/h1-5,16-17H
InChIKeyKLKDPRUXCGOLFU-UHFFFAOYSA-N
MW422.90 g/mol
LogP5.05
Rot. Bonds1

About 2,4-dibromo-6-(5-bromo-2-hydroxyphenyl)phenol

2,4-dibromo-6-(5-bromo-2-hydroxyphenyl)phenol (PubChem CID 50899959) has the molecular formula C12H7Br3O2 and a molecular weight of 422.90 g/mol. Its IUPAC name is 2,4-dibromo-6-(5-bromo-2-hydroxyphenyl)phenol.

Molecular Properties

Compound Name2,4-dibromo-6-(5-bromo-2-hydroxyphenyl)phenol
PubChem CID50899959
Molecular FormulaC12H7Br3O2
Molecular Weight422.90 g/mol
Exact Mass419.80
IUPAC Name2,4-dibromo-6-(5-bromo-2-hydroxyphenyl)phenol
SMILESOc1ccc(Br)cc1-c1cc(Br)cc(Br)c1O
InChIInChI=1S/C12H7Br3O2/c13-6-1-2-11(16)8(3-6)9-4-7(14)5-10(15)12(9)17/h1-5,16-17H
InChIKeyKLKDPRUXCGOLFU-UHFFFAOYSA-N
XLogP5.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.90
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(5-bromo-2-hydroxyphenyl)phenol?
The IUPAC name of 2,4-dibromo-6-(5-bromo-2-hydroxyphenyl)phenol (CID 50899959) is 2,4-dibromo-6-(5-bromo-2-hydroxyphenyl)phenol.
What is the SMILES notation for 2,4-dibromo-6-(5-bromo-2-hydroxyphenyl)phenol?
The canonical SMILES for 2,4-dibromo-6-(5-bromo-2-hydroxyphenyl)phenol is Oc1ccc(Br)cc1-c1cc(Br)cc(Br)c1O.
What is the InChIKey of 2,4-dibromo-6-(5-bromo-2-hydroxyphenyl)phenol?
The InChIKey is KLKDPRUXCGOLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br3O2/c13-6-1-2-11(16)8(3-6)9-4-7(14)5-10(15)12(9)17/h1-5,16-17H.
What are the key properties of 2,4-dibromo-6-(5-bromo-2-hydroxyphenyl)phenol?
2,4-dibromo-6-(5-bromo-2-hydroxyphenyl)phenol has a molecular weight of 422.90 g/mol, XLogP of 5.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(5-bromo-2-hydroxyphenyl)phenol is sourced from PubChem (CID 50899959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).