3,5-dibromo-1-benzofuran

C8H4Br2O — CID 2795572

IUPAC3,5-dibromo-1-benzofuran
SMILESBrc1ccc2occ(Br)c2c1
InChIInChI=1S/C8H4Br2O/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4H
InChIKeyFWNOZAIGDLGBGI-UHFFFAOYSA-N
MW275.93 g/mol
LogP3.96
Rot. Bonds

About 3,5-dibromo-1-benzofuran

3,5-dibromo-1-benzofuran (PubChem CID 2795572) has the molecular formula C8H4Br2O and a molecular weight of 275.93 g/mol. Its IUPAC name is 3,5-dibromo-1-benzofuran.

Molecular Properties

Compound Name3,5-dibromo-1-benzofuran
PubChem CID2795572
Molecular FormulaC8H4Br2O
Molecular Weight275.93 g/mol
Exact Mass273.86
IUPAC Name3,5-dibromo-1-benzofuran
SMILESBrc1ccc2occ(Br)c2c1
InChIInChI=1S/C8H4Br2O/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4H
InChIKeyFWNOZAIGDLGBGI-UHFFFAOYSA-N
XLogP3.96
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.93
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-benzofuran?
The IUPAC name of 3,5-dibromo-1-benzofuran (CID 2795572) is 3,5-dibromo-1-benzofuran.
What is the SMILES notation for 3,5-dibromo-1-benzofuran?
The canonical SMILES for 3,5-dibromo-1-benzofuran is Brc1ccc2occ(Br)c2c1.
What is the InChIKey of 3,5-dibromo-1-benzofuran?
The InChIKey is FWNOZAIGDLGBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2O/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4H.
What are the key properties of 3,5-dibromo-1-benzofuran?
3,5-dibromo-1-benzofuran has a molecular weight of 275.93 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1-benzofuran is sourced from PubChem (CID 2795572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).