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

C12H8BrClOS — CID 62621967

IUPAC2-(3-bromothiophen-2-yl)-1-(2-chlorophenyl)ethanone
SMILESO=C(Cc1sccc1Br)c1ccccc1Cl
InChIInChI=1S/C12H8BrClOS/c13-9-5-6-16-12(9)7-11(15)8-3-1-2-4-10(8)14/h1-6H,7H2
InChIKeyUFAVZBLSMLNJEU-UHFFFAOYSA-N
MW315.62 g/mol
LogP4.59
Rot. Bonds3

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

2-(3-bromothiophen-2-yl)-1-(2-chlorophenyl)ethanone (PubChem CID 62621967) has the molecular formula C12H8BrClOS and a molecular weight of 315.62 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(2-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(2-chlorophenyl)ethanone
PubChem CID62621967
Molecular FormulaC12H8BrClOS
Molecular Weight315.62 g/mol
Exact Mass313.92
IUPAC Name2-(3-bromothiophen-2-yl)-1-(2-chlorophenyl)ethanone
SMILESO=C(Cc1sccc1Br)c1ccccc1Cl
InChIInChI=1S/C12H8BrClOS/c13-9-5-6-16-12(9)7-11(15)8-3-1-2-4-10(8)14/h1-6H,7H2
InChIKeyUFAVZBLSMLNJEU-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-(2-aminophenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 64829244
2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)ethanone
CID 114969828
1-(3-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 114969803
1-(2-bromothiophen-3-yl)-2-(3-bromothiophen-2-yl)ethanone
CID 164654006
2-(3-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethanone
CID 114969742
2-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone
CID 114969747
1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 114969808
2-(3-bromothiophen-2-yl)-1-(3-chlorophenyl)ethanone
CID 62620007
1-(2-bromophenyl)-3-(3-bromothiophen-2-yl)propan-2-one
CID 62828798
2-(3-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610459
2-(3-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone
CID 114969798
1-(2-chlorophenyl)-2-thiophen-3-ylethanone
CID 61054052

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(2-chlorophenyl)ethanone?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(2-chlorophenyl)ethanone (CID 62621967) is 2-(3-bromothiophen-2-yl)-1-(2-chlorophenyl)ethanone.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(2-chlorophenyl)ethanone?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(2-chlorophenyl)ethanone is O=C(Cc1sccc1Br)c1ccccc1Cl.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(2-chlorophenyl)ethanone?
The InChIKey is UFAVZBLSMLNJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClOS/c13-9-5-6-16-12(9)7-11(15)8-3-1-2-4-10(8)14/h1-6H,7H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(2-chlorophenyl)ethanone?
2-(3-bromothiophen-2-yl)-1-(2-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-(2-chlorophenyl)ethanone is sourced from PubChem (CID 62621967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).