4,6-dibromodibenzofuran

C12H6Br2O — CID 526362

IUPAC4,6-dibromodibenzofuran
SMILESBrc1cccc2c1oc1c(Br)cccc12
InChIInChI=1S/C12H6Br2O/c13-9-5-1-3-7-8-4-2-6-10(14)12(8)15-11(7)9/h1-6H
InChIKeyXSJLDNSNUICSQC-UHFFFAOYSA-N
MW325.99 g/mol
LogP5.11
Rot. Bonds

About 4,6-dibromodibenzofuran

4,6-dibromodibenzofuran (PubChem CID 526362) has the molecular formula C12H6Br2O and a molecular weight of 325.99 g/mol. Its IUPAC name is 4,6-dibromodibenzofuran.

Molecular Properties

Compound Name4,6-dibromodibenzofuran
PubChem CID526362
Molecular FormulaC12H6Br2O
Molecular Weight325.99 g/mol
Exact Mass323.88
IUPAC Name4,6-dibromodibenzofuran
SMILESBrc1cccc2c1oc1c(Br)cccc12
InChIInChI=1S/C12H6Br2O/c13-9-5-1-3-7-8-4-2-6-10(14)12(8)15-11(7)9/h1-6H
InChIKeyXSJLDNSNUICSQC-UHFFFAOYSA-N
XLogP5.11
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.99
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-dibromodibenzofuran?
The IUPAC name of 4,6-dibromodibenzofuran (CID 526362) is 4,6-dibromodibenzofuran.
What is the SMILES notation for 4,6-dibromodibenzofuran?
The canonical SMILES for 4,6-dibromodibenzofuran is Brc1cccc2c1oc1c(Br)cccc12.
What is the InChIKey of 4,6-dibromodibenzofuran?
The InChIKey is XSJLDNSNUICSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2O/c13-9-5-1-3-7-8-4-2-6-10(14)12(8)15-11(7)9/h1-6H.
What are the key properties of 4,6-dibromodibenzofuran?
4,6-dibromodibenzofuran has a molecular weight of 325.99 g/mol, XLogP of 5.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromodibenzofuran is sourced from PubChem (CID 526362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).