1-(4-bromo-2-chlorophenyl)-2-thiophen-2-ylethanone

C12H8BrClOS — CID 61055078

IUPAC1-(4-bromo-2-chlorophenyl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H8BrClOS/c13-8-3-4-10(11(14)6-8)12(15)7-9-2-1-5-16-9/h1-6H,7H2
InChIKeyQFEQJKYJUWPIIS-UHFFFAOYSA-N
MW315.62 g/mol
LogP4.59
Rot. Bonds3

About 1-(4-bromo-2-chlorophenyl)-2-thiophen-2-ylethanone

1-(4-bromo-2-chlorophenyl)-2-thiophen-2-ylethanone (PubChem CID 61055078) has the molecular formula C12H8BrClOS and a molecular weight of 315.62 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-2-thiophen-2-ylethanone
PubChem CID61055078
Molecular FormulaC12H8BrClOS
Molecular Weight315.62 g/mol
Exact Mass313.92
IUPAC Name1-(4-bromo-2-chlorophenyl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H8BrClOS/c13-8-3-4-10(11(14)6-8)12(15)7-9-2-1-5-16-9/h1-6H,7H2
InChIKeyQFEQJKYJUWPIIS-UHFFFAOYSA-N
XLogP4.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.62
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylethanone
CID 61056501
1-(2,5-dibromothiophen-3-yl)-2-thiophen-2-ylethanone
CID 107962768
1-(2-bromo-4-fluorophenyl)-2-thiophen-2-ylethanone
CID 61056276
N-(5-bromo-2-chlorophenyl)-2-thiophen-2-ylacetamide
CID 62908415
1-(2-bromo-5-fluorophenyl)-2-thiophen-2-ylethanone
CID 61056475
1-(4-bromo-2-chlorophenyl)-2-(4-ethylphenyl)ethanone
CID 114963420
5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 27770225
5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036874
1-(4-bromo-2-chlorophenyl)-2-(2-nitrophenyl)ethanone
CID 61055886
1-(4-bromo-2-chlorophenyl)-3-thiophen-3-ylpropan-1-one
CID 114972136
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone
CID 146008833
1-(4-bromo-2-chlorophenyl)-2-ethoxyethanone
CID 115782953

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-thiophen-2-ylethanone (CID 61055078) is 1-(4-bromo-2-chlorophenyl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-2-thiophen-2-ylethanone is O=C(Cc1cccs1)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-2-thiophen-2-ylethanone?
The InChIKey is QFEQJKYJUWPIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClOS/c13-8-3-4-10(11(14)6-8)12(15)7-9-2-1-5-16-9/h1-6H,7H2.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-2-thiophen-2-ylethanone?
1-(4-bromo-2-chlorophenyl)-2-thiophen-2-ylethanone has a molecular weight of 315.62 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 61055078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).