1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone

C13H10Cl2O2S — CID 43167322

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C13H10Cl2O2S/c1-17-9-4-2-8(3-5-9)6-11(16)10-7-12(14)18-13(10)15/h2-5,7H,6H2,1H3
InChIKeyZIQVSRVXKFTSBP-UHFFFAOYSA-N
MW301.19 g/mol
LogP4.49
Rot. Bonds4

About 1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone

1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone (PubChem CID 43167322) has the molecular formula C13H10Cl2O2S and a molecular weight of 301.19 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone
PubChem CID43167322
Molecular FormulaC13H10Cl2O2S
Molecular Weight301.19 g/mol
Exact Mass299.98
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C13H10Cl2O2S/c1-17-9-4-2-8(3-5-9)6-11(16)10-7-12(14)18-13(10)15/h2-5,7H,6H2,1H3
InChIKeyZIQVSRVXKFTSBP-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-2-(3,4-dimethoxyphenyl)ethanone
CID 43344752
1-(2,5-dichlorothiophen-3-yl)-2-[(4-methoxyphenyl)methoxy]ethanone
CID 62031401
1-(2-chlorofuran-3-yl)-2-(4-methoxyphenyl)ethanone
CID 106687666
1-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)ethanone
CID 61055289
2-(3-chloro-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 107967879
1-(5-chloro-2,4-dihydroxy-3-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 58913540
1-(2,5-dichlorothiophen-3-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43220131
1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 115369376
1-(2,5-dichlorothiophen-3-yl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 60652429
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 81045109
1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethanone
CID 80530028
1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone
CID 43337271

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone (CID 43167322) is 1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)c2cc(Cl)sc2Cl)cc1.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone?
The InChIKey is ZIQVSRVXKFTSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O2S/c1-17-9-4-2-8(3-5-9)6-11(16)10-7-12(14)18-13(10)15/h2-5,7H,6H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone?
1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone has a molecular weight of 301.19 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 43167322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).