1-(2,5-dichlorothiophen-3-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone

C15H14Cl2O3S — CID 43220131

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
SMILESCOCCc1ccc(OCC(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C15H14Cl2O3S/c1-19-7-6-10-2-4-11(5-3-10)20-9-13(18)12-8-14(16)21-15(12)17/h2-5,8H,6-7,9H2,1H3
InChIKeyRZOHMPTUUHYHEA-UHFFFAOYSA-N
MW345.25 g/mol
LogP4.51
Rot. Bonds7

About 1-(2,5-dichlorothiophen-3-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone

1-(2,5-dichlorothiophen-3-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone (PubChem CID 43220131) has the molecular formula C15H14Cl2O3S and a molecular weight of 345.25 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
PubChem CID43220131
Molecular FormulaC15H14Cl2O3S
Molecular Weight345.25 g/mol
Exact Mass344.00
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
SMILESCOCCc1ccc(OCC(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C15H14Cl2O3S/c1-19-7-6-10-2-4-11(5-3-10)20-9-13(18)12-8-14(16)21-15(12)17/h2-5,8H,6-7,9H2,1H3
InChIKeyRZOHMPTUUHYHEA-UHFFFAOYSA-N
XLogP4.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-butylphenoxy)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 115492871
1-(2,5-dichlorothiophen-3-yl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 60652429
1-(2,5-dichlorothiophen-3-yl)-2-(4-methylsulfanylphenoxy)ethanone
CID 60652315
1-(2,5-dichlorothiophen-3-yl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanone
CID 104563843
1-(3-chlorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413945
1-(2,5-dichlorothiophen-3-yl)-2-[(4-methoxyphenyl)methoxy]ethanone
CID 62031401
1-(2-fluorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413948
1-(5-bromothiophen-2-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413943
1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone
CID 43167322
1-(4-fluorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413939
1-(2,5-dichlorothiophen-3-yl)-2-(3-methylsulfonylphenoxy)ethanone
CID 43612904
1-(2,5-dichlorothiophen-3-yl)-2-(2-ethylphenoxy)ethanone
CID 43220079

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone (CID 43220131) is 1-(2,5-dichlorothiophen-3-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone is COCCc1ccc(OCC(=O)c2cc(Cl)sc2Cl)cc1.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone?
The InChIKey is RZOHMPTUUHYHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O3S/c1-19-7-6-10-2-4-11(5-3-10)20-9-13(18)12-8-14(16)21-15(12)17/h2-5,8H,6-7,9H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone?
1-(2,5-dichlorothiophen-3-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone has a molecular weight of 345.25 g/mol, XLogP of 4.51, 7 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-[4-(2-methoxyethyl)phenoxy]ethanone is sourced from PubChem (CID 43220131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).