1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-one

C11H8Br2O2 — CID 15350193

IUPAC1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-one
SMILESCCC(=O)c1cc2cc(Br)cc(Br)c2o1
InChIInChI=1S/C11H8Br2O2/c1-2-9(14)10-4-6-3-7(12)5-8(13)11(6)15-10/h3-5H,2H2,1H3
InChIKeyNJOYRTKQRFNJOB-UHFFFAOYSA-N
MW331.99 g/mol
LogP4.55
Rot. Bonds2

About 1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-one

1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-one (PubChem CID 15350193) has the molecular formula C11H8Br2O2 and a molecular weight of 331.99 g/mol. Its IUPAC name is 1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-one
PubChem CID15350193
Molecular FormulaC11H8Br2O2
Molecular Weight331.99 g/mol
Exact Mass329.89
IUPAC Name1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-one
SMILESCCC(=O)c1cc2cc(Br)cc(Br)c2o1
InChIInChI=1S/C11H8Br2O2/c1-2-9(14)10-4-6-3-7(12)5-8(13)11(6)15-10/h3-5H,2H2,1H3
InChIKeyNJOYRTKQRFNJOB-UHFFFAOYSA-N
XLogP4.55
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.99
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-one?
The IUPAC name of 1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-one (CID 15350193) is 1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-one.
What is the SMILES notation for 1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-one?
The canonical SMILES for 1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-one is CCC(=O)c1cc2cc(Br)cc(Br)c2o1.
What is the InChIKey of 1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-one?
The InChIKey is NJOYRTKQRFNJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2O2/c1-2-9(14)10-4-6-3-7(12)5-8(13)11(6)15-10/h3-5H,2H2,1H3.
What are the key properties of 1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-one?
1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-one has a molecular weight of 331.99 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-one is sourced from PubChem (CID 15350193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).