2-(5-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)ethanone

C13H10BrClOS — CID 107101557

IUPAC2-(5-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)ethanone
SMILESCc1c(Cl)cccc1C(=O)Cc1ccc(Br)s1
InChIInChI=1S/C13H10BrClOS/c1-8-10(3-2-4-11(8)15)12(16)7-9-5-6-13(14)17-9/h2-6H,7H2,1H3
InChIKeyHKGYKPKBHKELNX-UHFFFAOYSA-N
MW329.65 g/mol
LogP4.90
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)ethanone

2-(5-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)ethanone (PubChem CID 107101557) has the molecular formula C13H10BrClOS and a molecular weight of 329.65 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)ethanone
PubChem CID107101557
Molecular FormulaC13H10BrClOS
Molecular Weight329.65 g/mol
Exact Mass327.93
IUPAC Name2-(5-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)ethanone
SMILESCc1c(Cl)cccc1C(=O)Cc1ccc(Br)s1
InChIInChI=1S/C13H10BrClOS/c1-8-10(3-2-4-11(8)15)12(16)7-9-5-6-13(14)17-9/h2-6H,7H2,1H3
InChIKeyHKGYKPKBHKELNX-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-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethanone
CID 114967563
1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 62620833
2-(5-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanone
CID 114967348
2-(5-bromothiophen-2-yl)-1-(2-ethoxyphenyl)ethanone
CID 113330338
1-(3-chloro-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 107101754
2-(5-bromothiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanone
CID 114967414
2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
CID 105088823
2-(5-bromothiophen-2-yl)-1-quinoxalin-5-ylethanone
CID 105088874
2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 62622151
2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-2-methylphenyl)ethanone
CID 106267406
2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-2-methylphenyl)ethanone
CID 107101623
2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethanone
CID 107944363

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)ethanone?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)ethanone (CID 107101557) is 2-(5-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)ethanone.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)ethanone?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)ethanone is Cc1c(Cl)cccc1C(=O)Cc1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)ethanone?
The InChIKey is HKGYKPKBHKELNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClOS/c1-8-10(3-2-4-11(8)15)12(16)7-9-5-6-13(14)17-9/h2-6H,7H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)ethanone?
2-(5-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)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 2-(5-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)ethanone is sourced from PubChem (CID 107101557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).