2-(3-bromothiophen-2-yl)-1-(3-chlorophenyl)ethanone

C12H8BrClOS — CID 62620007

IUPAC2-(3-bromothiophen-2-yl)-1-(3-chlorophenyl)ethanone
SMILESO=C(Cc1sccc1Br)c1cccc(Cl)c1
InChIInChI=1S/C12H8BrClOS/c13-10-4-5-16-12(10)7-11(15)8-2-1-3-9(14)6-8/h1-6H,7H2
InChIKeyTWZRRSVBQCQLQM-UHFFFAOYSA-N
MW315.62 g/mol
LogP4.59
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(3-chlorophenyl)ethanone

2-(3-bromothiophen-2-yl)-1-(3-chlorophenyl)ethanone (PubChem CID 62620007) has the molecular formula C12H8BrClOS and a molecular weight of 315.62 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(3-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(3-chlorophenyl)ethanone
PubChem CID62620007
Molecular FormulaC12H8BrClOS
Molecular Weight315.62 g/mol
Exact Mass313.92
IUPAC Name2-(3-bromothiophen-2-yl)-1-(3-chlorophenyl)ethanone
SMILESO=C(Cc1sccc1Br)c1cccc(Cl)c1
InChIInChI=1S/C12H8BrClOS/c13-10-4-5-16-12(10)7-11(15)8-2-1-3-9(14)6-8/h1-6H,7H2
InChIKeyTWZRRSVBQCQLQM-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-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 114969808
1-(3-bromo-4-fluorophenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 82808650
2-(3-bromothiophen-2-yl)-1-(2-chlorophenyl)ethanone
CID 62621967
2-(3-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone
CID 114969798
2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanone
CID 62622434
2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 114969698
3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)propanoic acid
CID 79440338
1-(3-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 114969803
2-(5-bromo-2-fluorophenyl)-1-(3-chlorophenyl)ethanone
CID 55186206
1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 60977103
1-(2-bromothiophen-3-yl)-2-(3-bromothiophen-2-yl)ethanone
CID 164654006
1-(2-aminophenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 64829244

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(3-chlorophenyl)ethanone?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(3-chlorophenyl)ethanone (CID 62620007) is 2-(3-bromothiophen-2-yl)-1-(3-chlorophenyl)ethanone.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(3-chlorophenyl)ethanone?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(3-chlorophenyl)ethanone is O=C(Cc1sccc1Br)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(3-chlorophenyl)ethanone?
The InChIKey is TWZRRSVBQCQLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClOS/c13-10-4-5-16-12(10)7-11(15)8-2-1-3-9(14)6-8/h1-6H,7H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(3-chlorophenyl)ethanone?
2-(3-bromothiophen-2-yl)-1-(3-chlorophenyl)ethanone 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 2-(3-bromothiophen-2-yl)-1-(3-chlorophenyl)ethanone is sourced from PubChem (CID 62620007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).