2,3,4,6-tetrabromophenol

C6H2Br4O — CID 26665

IUPAC2,3,4,6-tetrabromophenol
SMILESOc1c(Br)cc(Br)c(Br)c1Br
InChIInChI=1S/C6H2Br4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H
InChIKeyCXPJZISGVIVNEL-UHFFFAOYSA-N
MW409.70 g/mol
LogP4.44
Rot. Bonds

About 2,3,4,6-tetrabromophenol

2,3,4,6-tetrabromophenol (PubChem CID 26665) has the molecular formula C6H2Br4O and a molecular weight of 409.70 g/mol. Its IUPAC name is 2,3,4,6-tetrabromophenol.

Molecular Properties

Compound Name2,3,4,6-tetrabromophenol
PubChem CID26665
Molecular FormulaC6H2Br4O
Molecular Weight409.70 g/mol
Exact Mass405.68
IUPAC Name2,3,4,6-tetrabromophenol
SMILESOc1c(Br)cc(Br)c(Br)c1Br
InChIInChI=1S/C6H2Br4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H
InChIKeyCXPJZISGVIVNEL-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.70
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrabromophenol?
The IUPAC name of 2,3,4,6-tetrabromophenol (CID 26665) is 2,3,4,6-tetrabromophenol.
What is the SMILES notation for 2,3,4,6-tetrabromophenol?
The canonical SMILES for 2,3,4,6-tetrabromophenol is Oc1c(Br)cc(Br)c(Br)c1Br.
What is the InChIKey of 2,3,4,6-tetrabromophenol?
The InChIKey is CXPJZISGVIVNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H.
What are the key properties of 2,3,4,6-tetrabromophenol?
2,3,4,6-tetrabromophenol has a molecular weight of 409.70 g/mol, XLogP of 4.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrabromophenol is sourced from PubChem (CID 26665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).