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

C14H12Cl2O3S — CID 43344752

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(Cl)sc2Cl)cc1OC
InChIInChI=1S/C14H12Cl2O3S/c1-18-11-4-3-8(6-12(11)19-2)5-10(17)9-7-13(15)20-14(9)16/h3-4,6-7H,5H2,1-2H3
InChIKeyGZWOHHDFAPXONX-UHFFFAOYSA-N
MW331.22 g/mol
LogP4.50
Rot. Bonds5

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

1-(2,5-dichlorothiophen-3-yl)-2-(3,4-dimethoxyphenyl)ethanone (PubChem CID 43344752) has the molecular formula C14H12Cl2O3S and a molecular weight of 331.22 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-(3,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-(3,4-dimethoxyphenyl)ethanone
PubChem CID43344752
Molecular FormulaC14H12Cl2O3S
Molecular Weight331.22 g/mol
Exact Mass329.99
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(Cl)sc2Cl)cc1OC
InChIInChI=1S/C14H12Cl2O3S/c1-18-11-4-3-8(6-12(11)19-2)5-10(17)9-7-13(15)20-14(9)16/h3-4,6-7H,5H2,1-2H3
InChIKeyGZWOHHDFAPXONX-UHFFFAOYSA-N
XLogP4.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone
CID 43167322
1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanone
CID 102826940
1-(2-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanone
CID 61054868
2-(3-chloro-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 107967879
2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)ethanone
CID 60919062
1-(3-bromo-5-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethanone
CID 107956974
1-(2,5-dichlorothiophen-3-yl)-2-[(4-methoxyphenyl)methoxy]ethanone
CID 62031401
2-(3,4-dimethoxyphenyl)-1-(4-ethoxy-5-methoxy-2-methylphenyl)ethanone
CID 165344990
2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone
CID 43339993
1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CID 22953564
1-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 39433553
2-(3,4-dimethoxyphenyl)-1-(5-iodothiophen-3-yl)ethanone
CID 79693880

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(3,4-dimethoxyphenyl)ethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(3,4-dimethoxyphenyl)ethanone (CID 43344752) is 1-(2,5-dichlorothiophen-3-yl)-2-(3,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-(3,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-(3,4-dimethoxyphenyl)ethanone is COc1ccc(CC(=O)c2cc(Cl)sc2Cl)cc1OC.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-(3,4-dimethoxyphenyl)ethanone?
The InChIKey is GZWOHHDFAPXONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O3S/c1-18-11-4-3-8(6-12(11)19-2)5-10(17)9-7-13(15)20-14(9)16/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-(3,4-dimethoxyphenyl)ethanone?
1-(2,5-dichlorothiophen-3-yl)-2-(3,4-dimethoxyphenyl)ethanone has a molecular weight of 331.22 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-(3,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 43344752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).