3,6-dibromobenzene-1,2,4,5-tetrol

C6H4Br2O4 — CID 15809266

IUPAC3,6-dibromobenzene-1,2,4,5-tetrol
SMILESOc1c(O)c(Br)c(O)c(O)c1Br
InChIInChI=1S/C6H4Br2O4/c7-1-3(9)5(11)2(8)6(12)4(1)10/h9-12H
InChIKeySQRJJLPELKDQMI-UHFFFAOYSA-N
MW299.90 g/mol
LogP2.03
Rot. Bonds

About 3,6-dibromobenzene-1,2,4,5-tetrol

3,6-dibromobenzene-1,2,4,5-tetrol (PubChem CID 15809266) has the molecular formula C6H4Br2O4 and a molecular weight of 299.90 g/mol. Its IUPAC name is 3,6-dibromobenzene-1,2,4,5-tetrol.

Molecular Properties

Compound Name3,6-dibromobenzene-1,2,4,5-tetrol
PubChem CID15809266
Molecular FormulaC6H4Br2O4
Molecular Weight299.90 g/mol
Exact Mass297.85
IUPAC Name3,6-dibromobenzene-1,2,4,5-tetrol
SMILESOc1c(O)c(Br)c(O)c(O)c1Br
InChIInChI=1S/C6H4Br2O4/c7-1-3(9)5(11)2(8)6(12)4(1)10/h9-12H
InChIKeySQRJJLPELKDQMI-UHFFFAOYSA-N
XLogP2.03
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.90
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dibromobenzene-1,2,4,5-tetrol?
The IUPAC name of 3,6-dibromobenzene-1,2,4,5-tetrol (CID 15809266) is 3,6-dibromobenzene-1,2,4,5-tetrol.
What is the SMILES notation for 3,6-dibromobenzene-1,2,4,5-tetrol?
The canonical SMILES for 3,6-dibromobenzene-1,2,4,5-tetrol is Oc1c(O)c(Br)c(O)c(O)c1Br.
What is the InChIKey of 3,6-dibromobenzene-1,2,4,5-tetrol?
The InChIKey is SQRJJLPELKDQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2O4/c7-1-3(9)5(11)2(8)6(12)4(1)10/h9-12H.
What are the key properties of 3,6-dibromobenzene-1,2,4,5-tetrol?
3,6-dibromobenzene-1,2,4,5-tetrol has a molecular weight of 299.90 g/mol, XLogP of 2.03, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromobenzene-1,2,4,5-tetrol is sourced from PubChem (CID 15809266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).