1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanone

C12H8BrClOS — CID 62504415

IUPAC1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)c1ccc(Br)s1
InChIInChI=1S/C12H8BrClOS/c13-12-5-4-11(16-12)10(15)7-8-2-1-3-9(14)6-8/h1-6H,7H2
InChIKeyBMWSYACHQLMMCE-UHFFFAOYSA-N
MW315.62 g/mol
LogP4.59
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanone

1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanone (PubChem CID 62504415) has the molecular formula C12H8BrClOS and a molecular weight of 315.62 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanone
PubChem CID62504415
Molecular FormulaC12H8BrClOS
Molecular Weight315.62 g/mol
Exact Mass313.92
IUPAC Name1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)c1ccc(Br)s1
InChIInChI=1S/C12H8BrClOS/c13-12-5-4-11(16-12)10(15)7-8-2-1-3-9(14)6-8/h1-6H,7H2
InChIKeyBMWSYACHQLMMCE-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-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)ethanone
CID 61078975
1-(5-bromothiophen-2-yl)-2-(3,5-difluorophenyl)ethanone
CID 105405260
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(5-bromothiophen-2-yl)ethanone
CID 58448850
1-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfinyl]ethanone
CID 114792773
2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone
CID 63492855
1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanone
CID 63526481
1-(3-chlorophenyl)propan-2-one
CID 2734097
2-[(3-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)ethanone
CID 65126522
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-chlorophenyl)ethanone
CID 62506000
2-(3-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60799246
2-[3-(3-chlorophenyl)phenyl]acetate
CID 7022503
2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone
CID 62036527

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanone (CID 62504415) is 1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanone is O=C(Cc1cccc(Cl)c1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanone?
The InChIKey is BMWSYACHQLMMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClOS/c13-12-5-4-11(16-12)10(15)7-8-2-1-3-9(14)6-8/h1-6H,7H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanone?
1-(5-bromothiophen-2-yl)-2-(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 1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanone is sourced from PubChem (CID 62504415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).