1-[5-(4-bromo-3-chlorophenyl)thiophen-2-yl]ethanone

C12H8BrClOS — CID 107615063

IUPAC1-[5-(4-bromo-3-chlorophenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Br)c(Cl)c2)s1
InChIInChI=1S/C12H8BrClOS/c1-7(15)11-4-5-12(16-11)8-2-3-9(13)10(14)6-8/h2-6H,1H3
InChIKeyTUAJZBJQZYFVID-UHFFFAOYSA-N
MW315.62 g/mol
LogP5.03
Rot. Bonds2

About 1-[5-(4-bromo-3-chlorophenyl)thiophen-2-yl]ethanone

1-[5-(4-bromo-3-chlorophenyl)thiophen-2-yl]ethanone (PubChem CID 107615063) has the molecular formula C12H8BrClOS and a molecular weight of 315.62 g/mol. Its IUPAC name is 1-[5-(4-bromo-3-chlorophenyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-bromo-3-chlorophenyl)thiophen-2-yl]ethanone
PubChem CID107615063
Molecular FormulaC12H8BrClOS
Molecular Weight315.62 g/mol
Exact Mass313.92
IUPAC Name1-[5-(4-bromo-3-chlorophenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Br)c(Cl)c2)s1
InChIInChI=1S/C12H8BrClOS/c1-7(15)11-4-5-12(16-11)8-2-3-9(13)10(14)6-8/h2-6H,1H3
InChIKeyTUAJZBJQZYFVID-UHFFFAOYSA-N
XLogP5.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.62
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3-bromo-4-fluorophenyl)thiophen-2-yl]ethanone
CID 104780316
1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone
CID 4190812
1-[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]ethanone
CID 81259902
1-[5-(3,4-dimethylphenyl)thiophen-2-yl]ethanone
CID 13401836
1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone
CID 62813066
1-[5-(2,5-dichlorophenyl)thiophen-2-yl]ethanone
CID 43363436
1-[5-(3-bromo-2,6-dimethylphenyl)thiophen-2-yl]ethanone
CID 164973501
1-[5-(2,3,4,5,6-pentachlorophenyl)thiophen-2-yl]ethanone
CID 134618423
1-[5-(2-bromophenyl)thiophen-2-yl]ethanone
CID 28818946
1-[5-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone
CID 90196018
methyl 3-amino-5-(4-bromo-3-chlorophenyl)thiophene-2-carboxylate
CID 81294950
1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethanone
CID 43154168

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromo-3-chlorophenyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(4-bromo-3-chlorophenyl)thiophen-2-yl]ethanone (CID 107615063) is 1-[5-(4-bromo-3-chlorophenyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(4-bromo-3-chlorophenyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(4-bromo-3-chlorophenyl)thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2ccc(Br)c(Cl)c2)s1.
What is the InChIKey of 1-[5-(4-bromo-3-chlorophenyl)thiophen-2-yl]ethanone?
The InChIKey is TUAJZBJQZYFVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClOS/c1-7(15)11-4-5-12(16-11)8-2-3-9(13)10(14)6-8/h2-6H,1H3.
What are the key properties of 1-[5-(4-bromo-3-chlorophenyl)thiophen-2-yl]ethanone?
1-[5-(4-bromo-3-chlorophenyl)thiophen-2-yl]ethanone has a molecular weight of 315.62 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromo-3-chlorophenyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 107615063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).