1,4,6,9-tetrabromodibenzofuran

C12H4Br4O — CID 526291

IUPAC1,4,6,9-tetrabromodibenzofuran
SMILESBrc1ccc(Br)c2c1oc1c(Br)ccc(Br)c12
InChIInChI=1S/C12H4Br4O/c13-5-1-3-7(15)11-9(5)10-6(14)2-4-8(16)12(10)17-11/h1-4H
InChIKeyGWVVZHZSUINYIC-UHFFFAOYSA-N
MW483.78 g/mol
LogP6.64
Rot. Bonds

About 1,4,6,9-tetrabromodibenzofuran

1,4,6,9-tetrabromodibenzofuran (PubChem CID 526291) has the molecular formula C12H4Br4O and a molecular weight of 483.78 g/mol. Its IUPAC name is 1,4,6,9-tetrabromodibenzofuran.

Molecular Properties

Compound Name1,4,6,9-tetrabromodibenzofuran
PubChem CID526291
Molecular FormulaC12H4Br4O
Molecular Weight483.78 g/mol
Exact Mass479.70
IUPAC Name1,4,6,9-tetrabromodibenzofuran
SMILESBrc1ccc(Br)c2c1oc1c(Br)ccc(Br)c12
InChIInChI=1S/C12H4Br4O/c13-5-1-3-7(15)11-9(5)10-6(14)2-4-8(16)12(10)17-11/h1-4H
InChIKeyGWVVZHZSUINYIC-UHFFFAOYSA-N
XLogP6.64
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.78
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4,6,9-tetrabromodibenzofuran?
The IUPAC name of 1,4,6,9-tetrabromodibenzofuran (CID 526291) is 1,4,6,9-tetrabromodibenzofuran.
What is the SMILES notation for 1,4,6,9-tetrabromodibenzofuran?
The canonical SMILES for 1,4,6,9-tetrabromodibenzofuran is Brc1ccc(Br)c2c1oc1c(Br)ccc(Br)c12.
What is the InChIKey of 1,4,6,9-tetrabromodibenzofuran?
The InChIKey is GWVVZHZSUINYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Br4O/c13-5-1-3-7(15)11-9(5)10-6(14)2-4-8(16)12(10)17-11/h1-4H.
What are the key properties of 1,4,6,9-tetrabromodibenzofuran?
1,4,6,9-tetrabromodibenzofuran has a molecular weight of 483.78 g/mol, XLogP of 6.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6,9-tetrabromodibenzofuran is sourced from PubChem (CID 526291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).