1-(4-bromo-5-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanone

C13H10BrClOS — CID 102826685

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanone
SMILESCc1sc(C(=O)Cc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C13H10BrClOS/c1-8-11(14)7-13(17-8)12(16)6-9-2-4-10(15)5-3-9/h2-5,7H,6H2,1H3
InChIKeyXXUGXGLQECCLBH-UHFFFAOYSA-N
MW329.65 g/mol
LogP4.90
Rot. Bonds3

About 1-(4-bromo-5-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanone

1-(4-bromo-5-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanone (PubChem CID 102826685) has the molecular formula C13H10BrClOS and a molecular weight of 329.65 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanone
PubChem CID102826685
Molecular FormulaC13H10BrClOS
Molecular Weight329.65 g/mol
Exact Mass327.93
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanone
SMILESCc1sc(C(=O)Cc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C13H10BrClOS/c1-8-11(14)7-13(17-8)12(16)6-9-2-4-10(15)5-3-9/h2-5,7H,6H2,1H3
InChIKeyXXUGXGLQECCLBH-UHFFFAOYSA-N
XLogP4.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.65
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanone
CID 102826498
1-(4,5-dibromothiophen-2-yl)-2-(4-ethylphenyl)ethanone
CID 114963430
1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone
CID 81110989
1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanone
CID 102826940
2-(4-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80745581
1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)ethanone
CID 80532635
2-(4-chlorophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanone
CID 81157445
1-(2-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone
CID 107988680
2-(4-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanone
CID 81104798
1-(7-bromo-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanone
CID 105078047
1-(5-bromo-4-methylthiophen-2-yl)-2-(4-fluorophenyl)ethanone
CID 79989856
N'-[2-(4-chlorophenyl)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
CID 26657465

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanone?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanone (CID 102826685) is 1-(4-bromo-5-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanone?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanone is Cc1sc(C(=O)Cc2ccc(Cl)cc2)cc1Br.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanone?
The InChIKey is XXUGXGLQECCLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClOS/c1-8-11(14)7-13(17-8)12(16)6-9-2-4-10(15)5-3-9/h2-5,7H,6H2,1H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanone?
1-(4-bromo-5-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanone has a molecular weight of 329.65 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanone is sourced from PubChem (CID 102826685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).