1-(2-bromo-1-benzofuran-6-yl)ethanone

C10H7BrO2 — CID 83898344

IUPAC1-(2-bromo-1-benzofuran-6-yl)ethanone
SMILESCC(=O)c1ccc2cc(Br)oc2c1
InChIInChI=1S/C10H7BrO2/c1-6(12)7-2-3-8-5-10(11)13-9(8)4-7/h2-5H,1H3
InChIKeyIFHCWLWNHHNAAC-UHFFFAOYSA-N
MW239.07 g/mol
LogP3.40
Rot. Bonds1

About 1-(2-bromo-1-benzofuran-6-yl)ethanone

1-(2-bromo-1-benzofuran-6-yl)ethanone (PubChem CID 83898344) has the molecular formula C10H7BrO2 and a molecular weight of 239.07 g/mol. Its IUPAC name is 1-(2-bromo-1-benzofuran-6-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-1-benzofuran-6-yl)ethanone
PubChem CID83898344
Molecular FormulaC10H7BrO2
Molecular Weight239.07 g/mol
Exact Mass237.96
IUPAC Name1-(2-bromo-1-benzofuran-6-yl)ethanone
SMILESCC(=O)c1ccc2cc(Br)oc2c1
InChIInChI=1S/C10H7BrO2/c1-6(12)7-2-3-8-5-10(11)13-9(8)4-7/h2-5H,1H3
InChIKeyIFHCWLWNHHNAAC-UHFFFAOYSA-N
XLogP3.40
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-acetyl-N-methyl-1-benzofuran-2-carboxamide
CID 167002828
1-(7-bromonaphthalen-2-yl)ethanone
CID 68758171
1-(7-acetylanthracen-2-yl)ethanone
CID 139364083
1-naphtho[2,1-b][1]benzofuran-9-ylethanone
CID 170226949
1-(2-nitro-1,3-benzoxazol-6-yl)ethanone
CID 131328272
1-(2-bromo-1,3-benzothiazol-6-yl)ethanone
CID 11673296
2-(2-methyl-1-benzofuran-6-yl)-2-oxoacetic acid
CID 117292330
N-(3-acetylphenyl)-6-methyl-1-benzofuran-2-carboxamide
CID 84577090
1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone
CID 53409856
1-(6-methyl-1-benzofuran-2-yl)ethanone
CID 159473013
1-(2,1-benzoxazol-6-yl)ethanone
CID 84764334
1-(4-acetylphenyl)ethanone;methane
CID 159515104

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-1-benzofuran-6-yl)ethanone?
The IUPAC name of 1-(2-bromo-1-benzofuran-6-yl)ethanone (CID 83898344) is 1-(2-bromo-1-benzofuran-6-yl)ethanone.
What is the SMILES notation for 1-(2-bromo-1-benzofuran-6-yl)ethanone?
The canonical SMILES for 1-(2-bromo-1-benzofuran-6-yl)ethanone is CC(=O)c1ccc2cc(Br)oc2c1.
What is the InChIKey of 1-(2-bromo-1-benzofuran-6-yl)ethanone?
The InChIKey is IFHCWLWNHHNAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO2/c1-6(12)7-2-3-8-5-10(11)13-9(8)4-7/h2-5H,1H3.
What are the key properties of 1-(2-bromo-1-benzofuran-6-yl)ethanone?
1-(2-bromo-1-benzofuran-6-yl)ethanone has a molecular weight of 239.07 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-1-benzofuran-6-yl)ethanone is sourced from PubChem (CID 83898344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).