2,3,4,5-tetrabromo-6-(2,3-dibromo-6-hydroxyphenyl)phenol

C12H4Br6O2 — CID 54436904

IUPAC2,3,4,5-tetrabromo-6-(2,3-dibromo-6-hydroxyphenyl)phenol
SMILESOc1ccc(Br)c(Br)c1-c1c(O)c(Br)c(Br)c(Br)c1Br
InChIInChI=1S/C12H4Br6O2/c13-3-1-2-4(19)5(7(3)14)6-8(15)9(16)10(17)11(18)12(6)20/h1-2,19-20H
InChIKeyWLJGZKUFUYRNIL-UHFFFAOYSA-N
MW659.59 g/mol
LogP7.34
Rot. Bonds1

About 2,3,4,5-tetrabromo-6-(2,3-dibromo-6-hydroxyphenyl)phenol

2,3,4,5-tetrabromo-6-(2,3-dibromo-6-hydroxyphenyl)phenol (PubChem CID 54436904) has the molecular formula C12H4Br6O2 and a molecular weight of 659.59 g/mol. Its IUPAC name is 2,3,4,5-tetrabromo-6-(2,3-dibromo-6-hydroxyphenyl)phenol.

Molecular Properties

Compound Name2,3,4,5-tetrabromo-6-(2,3-dibromo-6-hydroxyphenyl)phenol
PubChem CID54436904
Molecular FormulaC12H4Br6O2
Molecular Weight659.59 g/mol
Exact Mass653.53
IUPAC Name2,3,4,5-tetrabromo-6-(2,3-dibromo-6-hydroxyphenyl)phenol
SMILESOc1ccc(Br)c(Br)c1-c1c(O)c(Br)c(Br)c(Br)c1Br
InChIInChI=1S/C12H4Br6O2/c13-3-1-2-4(19)5(7(3)14)6-8(15)9(16)10(17)11(18)12(6)20/h1-2,19-20H
InChIKeyWLJGZKUFUYRNIL-UHFFFAOYSA-N
XLogP7.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.59
LogP ≤ 57.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-methylbenzene-1,3-diol
CID 15004925
1,2,3,4,5-pentabromo-6-(2,3,4-tribromophenyl)benzene
CID 3032840
3,4-dibromo-2-[2-(2,3-dibromo-6-hydroxyphenyl)propan-2-yl]phenol
CID 18504428
6-bromo-2-(3-bromo-2-hydroxy-6-methoxyphenyl)-3-methoxyphenol
CID 101087040
2,3-dibromo-6-hydroxybenzaldehyde
CID 87379563
4-bromo-7-hydroxy-2-methyl-2,3-dihydroinden-1-one
CID 71082807
1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol
CID 67157613
sodium;hydride;2,3,4,5,6-pentabromophenol
CID 173454659
3-bromo-6-fluorobenzene-1,2-diol
CID 45093034
2,6-dibromo-3-[1-(2,4-dibromo-3-hydroxyphenyl)ethyl]phenol
CID 90998864
6-bromo-2,3-dihydroxybenzaldehyde
CID 818049
4-bromo-3-tert-butylbenzene-1,2-diol
CID 87961346

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrabromo-6-(2,3-dibromo-6-hydroxyphenyl)phenol?
The IUPAC name of 2,3,4,5-tetrabromo-6-(2,3-dibromo-6-hydroxyphenyl)phenol (CID 54436904) is 2,3,4,5-tetrabromo-6-(2,3-dibromo-6-hydroxyphenyl)phenol.
What is the SMILES notation for 2,3,4,5-tetrabromo-6-(2,3-dibromo-6-hydroxyphenyl)phenol?
The canonical SMILES for 2,3,4,5-tetrabromo-6-(2,3-dibromo-6-hydroxyphenyl)phenol is Oc1ccc(Br)c(Br)c1-c1c(O)c(Br)c(Br)c(Br)c1Br.
What is the InChIKey of 2,3,4,5-tetrabromo-6-(2,3-dibromo-6-hydroxyphenyl)phenol?
The InChIKey is WLJGZKUFUYRNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Br6O2/c13-3-1-2-4(19)5(7(3)14)6-8(15)9(16)10(17)11(18)12(6)20/h1-2,19-20H.
What are the key properties of 2,3,4,5-tetrabromo-6-(2,3-dibromo-6-hydroxyphenyl)phenol?
2,3,4,5-tetrabromo-6-(2,3-dibromo-6-hydroxyphenyl)phenol has a molecular weight of 659.59 g/mol, XLogP of 7.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrabromo-6-(2,3-dibromo-6-hydroxyphenyl)phenol is sourced from PubChem (CID 54436904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).