2,4-dibromobenzene-1,3,5-triol

C6H4Br2O3 — CID 14339091

IUPAC2,4-dibromobenzene-1,3,5-triol
SMILESOc1cc(O)c(Br)c(O)c1Br
InChIInChI=1S/C6H4Br2O3/c7-4-2(9)1-3(10)5(8)6(4)11/h1,9-11H
InChIKeySNZHHFHFCLIISK-UHFFFAOYSA-N
MW283.90 g/mol
LogP2.33
Rot. Bonds

About 2,4-dibromobenzene-1,3,5-triol

2,4-dibromobenzene-1,3,5-triol (PubChem CID 14339091) has the molecular formula C6H4Br2O3 and a molecular weight of 283.90 g/mol. Its IUPAC name is 2,4-dibromobenzene-1,3,5-triol.

Molecular Properties

Compound Name2,4-dibromobenzene-1,3,5-triol
PubChem CID14339091
Molecular FormulaC6H4Br2O3
Molecular Weight283.90 g/mol
Exact Mass281.85
IUPAC Name2,4-dibromobenzene-1,3,5-triol
SMILESOc1cc(O)c(Br)c(O)c1Br
InChIInChI=1S/C6H4Br2O3/c7-4-2(9)1-3(10)5(8)6(4)11/h1,9-11H
InChIKeySNZHHFHFCLIISK-UHFFFAOYSA-N
XLogP2.33
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.90
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromobenzene-1,3,5-triol?
The IUPAC name of 2,4-dibromobenzene-1,3,5-triol (CID 14339091) is 2,4-dibromobenzene-1,3,5-triol.
What is the SMILES notation for 2,4-dibromobenzene-1,3,5-triol?
The canonical SMILES for 2,4-dibromobenzene-1,3,5-triol is Oc1cc(O)c(Br)c(O)c1Br.
What is the InChIKey of 2,4-dibromobenzene-1,3,5-triol?
The InChIKey is SNZHHFHFCLIISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2O3/c7-4-2(9)1-3(10)5(8)6(4)11/h1,9-11H.
What are the key properties of 2,4-dibromobenzene-1,3,5-triol?
2,4-dibromobenzene-1,3,5-triol has a molecular weight of 283.90 g/mol, XLogP of 2.33, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromobenzene-1,3,5-triol is sourced from PubChem (CID 14339091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).