1-(5-bromothiophen-2-yl)-3-hydroxypropan-1-one

C7H7BrO2S — CID 82291001

IUPAC1-(5-bromothiophen-2-yl)-3-hydroxypropan-1-one
SMILESO=C(CCO)c1ccc(Br)s1
InChIInChI=1S/C7H7BrO2S/c8-7-2-1-6(11-7)5(10)3-4-9/h1-2,9H,3-4H2
InChIKeyHPKKFXGDXGPIKV-UHFFFAOYSA-N
MW235.10 g/mol
LogP2.08
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-3-hydroxypropan-1-one

1-(5-bromothiophen-2-yl)-3-hydroxypropan-1-one (PubChem CID 82291001) has the molecular formula C7H7BrO2S and a molecular weight of 235.10 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-hydroxypropan-1-one.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-hydroxypropan-1-one
PubChem CID82291001
Molecular FormulaC7H7BrO2S
Molecular Weight235.10 g/mol
Exact Mass233.94
IUPAC Name1-(5-bromothiophen-2-yl)-3-hydroxypropan-1-one
SMILESO=C(CCO)c1ccc(Br)s1
InChIInChI=1S/C7H7BrO2S/c8-7-2-1-6(11-7)5(10)3-4-9/h1-2,9H,3-4H2
InChIKeyHPKKFXGDXGPIKV-UHFFFAOYSA-N
XLogP2.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.10
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[bis(2-hydroxyethyl)amino]-1-(5-bromothiophen-2-yl)ethanone
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CID 82124402
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1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-one
CID 61103392
1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone
CID 43794754
3-[4-aminobutyl-[3-(5-bromothiophen-2-yl)-3-oxopropyl]amino]-1-(5-bromothiophen-2-yl)propan-1-one
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1-(5-bromothiophen-2-yl)-2-thiophen-2-ylsulfanylethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-hydroxypropan-1-one?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-hydroxypropan-1-one (CID 82291001) is 1-(5-bromothiophen-2-yl)-3-hydroxypropan-1-one.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-hydroxypropan-1-one?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-hydroxypropan-1-one is O=C(CCO)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-hydroxypropan-1-one?
The InChIKey is HPKKFXGDXGPIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO2S/c8-7-2-1-6(11-7)5(10)3-4-9/h1-2,9H,3-4H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-hydroxypropan-1-one?
1-(5-bromothiophen-2-yl)-3-hydroxypropan-1-one has a molecular weight of 235.10 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-hydroxypropan-1-one is sourced from PubChem (CID 82291001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).