1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone

C14H12Cl2OS — CID 63492510

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C14H12Cl2OS/c1-8-3-4-9(2)10(5-8)6-12(17)11-7-13(15)18-14(11)16/h3-5,7H,6H2,1-2H3
InChIKeyCYEBRKRPCFIIHR-UHFFFAOYSA-N
MW299.22 g/mol
LogP5.10
Rot. Bonds3

About 1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone

1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone (PubChem CID 63492510) has the molecular formula C14H12Cl2OS and a molecular weight of 299.22 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
PubChem CID63492510
Molecular FormulaC14H12Cl2OS
Molecular Weight299.22 g/mol
Exact Mass298.00
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C14H12Cl2OS/c1-8-3-4-9(2)10(5-8)6-12(17)11-7-13(15)18-14(11)16/h3-5,7H,6H2,1-2H3
InChIKeyCYEBRKRPCFIIHR-UHFFFAOYSA-N
XLogP5.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.22
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-4-methylthiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone
CID 102762888
1-(2,5-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55195632
1-(4-bromo-5-chlorothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone
CID 102826790
1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63491825
1-(2,3-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63527350
1-(5-chloro-2-iodophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 114029871
1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55224701
2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone
CID 61481684
1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
CID 115784134
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol
CID 63427104
2-(2,5-dimethylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanone
CID 105081631
1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone
CID 43167322

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone (CID 63492510) is 1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone is Cc1ccc(C)c(CC(=O)c2cc(Cl)sc2Cl)c1.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone?
The InChIKey is CYEBRKRPCFIIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2OS/c1-8-3-4-9(2)10(5-8)6-12(17)11-7-13(15)18-14(11)16/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone?
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone has a molecular weight of 299.22 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 63492510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).