1-[5-(2,5-dichlorophenyl)thiophen-2-yl]ethanone

C12H8Cl2OS — CID 43363436

IUPAC1-[5-(2,5-dichlorophenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C12H8Cl2OS/c1-7(15)11-4-5-12(16-11)9-6-8(13)2-3-10(9)14/h2-6H,1H3
InChIKeyPMMWZTQDVIONQB-UHFFFAOYSA-N
MW271.17 g/mol
LogP4.92
Rot. Bonds2

About 1-[5-(2,5-dichlorophenyl)thiophen-2-yl]ethanone

1-[5-(2,5-dichlorophenyl)thiophen-2-yl]ethanone (PubChem CID 43363436) has the molecular formula C12H8Cl2OS and a molecular weight of 271.17 g/mol. Its IUPAC name is 1-[5-(2,5-dichlorophenyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2,5-dichlorophenyl)thiophen-2-yl]ethanone
PubChem CID43363436
Molecular FormulaC12H8Cl2OS
Molecular Weight271.17 g/mol
Exact Mass269.97
IUPAC Name1-[5-(2,5-dichlorophenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C12H8Cl2OS/c1-7(15)11-4-5-12(16-11)9-6-8(13)2-3-10(9)14/h2-6H,1H3
InChIKeyPMMWZTQDVIONQB-UHFFFAOYSA-N
XLogP4.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone
CID 4190812
1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]propan-1-one
CID 43438621
1-[5-(2,3,4,5,6-pentachlorophenyl)thiophen-2-yl]ethanone
CID 134618423
1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]ethanone
CID 43154087
1-(2,5-dichlorophenyl)ethanone;ethane
CID 145081107
1-[5-(4-bromo-3-chlorophenyl)thiophen-2-yl]ethanone
CID 107615063
1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]butan-1-one
CID 81275345
1-[5-(2-bromophenyl)thiophen-2-yl]ethanone
CID 28818946
1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone
CID 62813066
5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-carboxamide
CID 9071635
1-[5-(3-bromo-4-fluorophenyl)thiophen-2-yl]ethanone
CID 104780316
1-[5-(2,5-dichlorophenyl)thiophen-2-yl]propan-1-amine
CID 43363440

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dichlorophenyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(2,5-dichlorophenyl)thiophen-2-yl]ethanone (CID 43363436) is 1-[5-(2,5-dichlorophenyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(2,5-dichlorophenyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(2,5-dichlorophenyl)thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2cc(Cl)ccc2Cl)s1.
What is the InChIKey of 1-[5-(2,5-dichlorophenyl)thiophen-2-yl]ethanone?
The InChIKey is PMMWZTQDVIONQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2OS/c1-7(15)11-4-5-12(16-11)9-6-8(13)2-3-10(9)14/h2-6H,1H3.
What are the key properties of 1-[5-(2,5-dichlorophenyl)thiophen-2-yl]ethanone?
1-[5-(2,5-dichlorophenyl)thiophen-2-yl]ethanone has a molecular weight of 271.17 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dichlorophenyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 43363436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).