3,6-dibromodibenzofuran

C12H6Br2O — CID 526353

IUPAC3,6-dibromodibenzofuran
SMILESBrc1ccc2c(c1)oc1c(Br)cccc12
InChIInChI=1S/C12H6Br2O/c13-7-4-5-8-9-2-1-3-10(14)12(9)15-11(8)6-7/h1-6H
InChIKeyYTPYXEPOBXHUKP-UHFFFAOYSA-N
MW325.99 g/mol
LogP5.11
Rot. Bonds

About 3,6-dibromodibenzofuran

3,6-dibromodibenzofuran (PubChem CID 526353) has the molecular formula C12H6Br2O and a molecular weight of 325.99 g/mol. Its IUPAC name is 3,6-dibromodibenzofuran.

Molecular Properties

Compound Name3,6-dibromodibenzofuran
PubChem CID526353
Molecular FormulaC12H6Br2O
Molecular Weight325.99 g/mol
Exact Mass323.88
IUPAC Name3,6-dibromodibenzofuran
SMILESBrc1ccc2c(c1)oc1c(Br)cccc12
InChIInChI=1S/C12H6Br2O/c13-7-4-5-8-9-2-1-3-10(14)12(9)15-11(8)6-7/h1-6H
InChIKeyYTPYXEPOBXHUKP-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 3,6-dibromodibenzofuran?
The IUPAC name of 3,6-dibromodibenzofuran (CID 526353) is 3,6-dibromodibenzofuran.
What is the SMILES notation for 3,6-dibromodibenzofuran?
The canonical SMILES for 3,6-dibromodibenzofuran is Brc1ccc2c(c1)oc1c(Br)cccc12.
What is the InChIKey of 3,6-dibromodibenzofuran?
The InChIKey is YTPYXEPOBXHUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2O/c13-7-4-5-8-9-2-1-3-10(14)12(9)15-11(8)6-7/h1-6H.
What are the key properties of 3,6-dibromodibenzofuran?
3,6-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 3,6-dibromodibenzofuran is sourced from PubChem (CID 526353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).