1-(4-bromothiophen-3-yl)-2-phenylethanone

C12H9BrOS — CID 79596157

IUPAC1-(4-bromothiophen-3-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1cscc1Br
InChIInChI=1S/C12H9BrOS/c13-11-8-15-7-10(11)12(14)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChIKeyWIBKMCURUUWZAC-UHFFFAOYSA-N
MW281.17 g/mol
LogP3.94
Rot. Bonds3

About 1-(4-bromothiophen-3-yl)-2-phenylethanone

1-(4-bromothiophen-3-yl)-2-phenylethanone (PubChem CID 79596157) has the molecular formula C12H9BrOS and a molecular weight of 281.17 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-2-phenylethanone
PubChem CID79596157
Molecular FormulaC12H9BrOS
Molecular Weight281.17 g/mol
Exact Mass279.96
IUPAC Name1-(4-bromothiophen-3-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1cscc1Br
InChIInChI=1S/C12H9BrOS/c13-11-8-15-7-10(11)12(14)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChIKeyWIBKMCURUUWZAC-UHFFFAOYSA-N
XLogP3.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.17
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromothiophen-3-yl)-4-phenylbutan-1-one
CID 105116019
2-[2-(aminomethyl)phenyl]-1-(4-bromothiophen-3-yl)ethanone
CID 116596064
2-amino-1-(4-bromothiophen-3-yl)-3-phenylpropan-1-one
CID 116552564
1-(3,4-dibromothiophen-2-yl)-2-phenylethanone
CID 79602437
1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
CID 115784134
1-[4-hydroxy-2-(2-phenylacetyl)phenyl]-2-phenylethanone
CID 59088943
1-(4-bromothiophen-3-yl)-4-hydroxybutan-1-one
CID 106677550
1-(4-bromothiophen-3-yl)-4-methylpentan-1-one
CID 79596702
1-(4-bromothiophen-3-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 116593567
2-(4-bromophenyl)-1-(2-hydroxyphenyl)ethanone
CID 118516182
(5-bromothiophen-3-yl)methyl 2-phenylacetate
CID 55704898
1-(4-bromo-3-chlorophenyl)-2-phenylethanone
CID 81296102

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-2-phenylethanone?
The IUPAC name of 1-(4-bromothiophen-3-yl)-2-phenylethanone (CID 79596157) is 1-(4-bromothiophen-3-yl)-2-phenylethanone.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-2-phenylethanone?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-2-phenylethanone is O=C(Cc1ccccc1)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-2-phenylethanone?
The InChIKey is WIBKMCURUUWZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrOS/c13-11-8-15-7-10(11)12(14)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2.
What are the key properties of 1-(4-bromothiophen-3-yl)-2-phenylethanone?
1-(4-bromothiophen-3-yl)-2-phenylethanone has a molecular weight of 281.17 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-2-phenylethanone is sourced from PubChem (CID 79596157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).