4,6-dibromo-1-benzofuran-3-one

C8H4Br2O2 — CID 131032772

IUPAC4,6-dibromo-1-benzofuran-3-one
SMILESO=C1COc2cc(Br)cc(Br)c21
InChIInChI=1S/C8H4Br2O2/c9-4-1-5(10)8-6(11)3-12-7(8)2-4/h1-2H,3H2
InChIKeyURKUWIAMPMKDNI-UHFFFAOYSA-N
MW291.93 g/mol
LogP2.79
Rot. Bonds

About 4,6-dibromo-1-benzofuran-3-one

4,6-dibromo-1-benzofuran-3-one (PubChem CID 131032772) has the molecular formula C8H4Br2O2 and a molecular weight of 291.93 g/mol. Its IUPAC name is 4,6-dibromo-1-benzofuran-3-one.

Molecular Properties

Compound Name4,6-dibromo-1-benzofuran-3-one
PubChem CID131032772
Molecular FormulaC8H4Br2O2
Molecular Weight291.93 g/mol
Exact Mass289.86
IUPAC Name4,6-dibromo-1-benzofuran-3-one
SMILESO=C1COc2cc(Br)cc(Br)c21
InChIInChI=1S/C8H4Br2O2/c9-4-1-5(10)8-6(11)3-12-7(8)2-4/h1-2H,3H2
InChIKeyURKUWIAMPMKDNI-UHFFFAOYSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.93
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-1-benzofuran-3-one?
The IUPAC name of 4,6-dibromo-1-benzofuran-3-one (CID 131032772) is 4,6-dibromo-1-benzofuran-3-one.
What is the SMILES notation for 4,6-dibromo-1-benzofuran-3-one?
The canonical SMILES for 4,6-dibromo-1-benzofuran-3-one is O=C1COc2cc(Br)cc(Br)c21.
What is the InChIKey of 4,6-dibromo-1-benzofuran-3-one?
The InChIKey is URKUWIAMPMKDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2O2/c9-4-1-5(10)8-6(11)3-12-7(8)2-4/h1-2H,3H2.
What are the key properties of 4,6-dibromo-1-benzofuran-3-one?
4,6-dibromo-1-benzofuran-3-one has a molecular weight of 291.93 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-1-benzofuran-3-one is sourced from PubChem (CID 131032772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).