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

C14H12Cl2O2S — CID 43220079

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-(2-ethylphenoxy)ethanone
SMILESCCc1ccccc1OCC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H12Cl2O2S/c1-2-9-5-3-4-6-12(9)18-8-11(17)10-7-13(15)19-14(10)16/h3-7H,2,8H2,1H3
InChIKeyCWXCWCQPENMFMC-UHFFFAOYSA-N
MW315.22 g/mol
LogP4.88
Rot. Bonds5

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

1-(2,5-dichlorothiophen-3-yl)-2-(2-ethylphenoxy)ethanone (PubChem CID 43220079) has the molecular formula C14H12Cl2O2S and a molecular weight of 315.22 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-(2-ethylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-(2-ethylphenoxy)ethanone
PubChem CID43220079
Molecular FormulaC14H12Cl2O2S
Molecular Weight315.22 g/mol
Exact Mass313.99
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-(2-ethylphenoxy)ethanone
SMILESCCc1ccccc1OCC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H12Cl2O2S/c1-2-9-5-3-4-6-12(9)18-8-11(17)10-7-13(15)19-14(10)16/h3-7H,2,8H2,1H3
InChIKeyCWXCWCQPENMFMC-UHFFFAOYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone
CID 43412426
1-(2-bromophenyl)-2-(2-ethylphenoxy)ethanone
CID 43412397
(2,5-dichlorothiophen-3-yl)-(2-ethoxyphenyl)methanone
CID 43344791
1-(2,5-dichlorothiophen-3-yl)-2-quinolin-5-yloxyethanone
CID 103045237
1-(2,5-dichlorothiophen-3-yl)-2-(4-methylsulfanylphenoxy)ethanone
CID 60652315
2-(4-butylphenoxy)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 115492871
2-(2-ethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 43412427
1-(2,5-dichlorothiophen-3-yl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 60652429
2-(2-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43412435
1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylphenoxy)ethanone
CID 110656179
1-(2,5-dichlorothiophen-3-yl)-2-(3-methylsulfonylphenoxy)ethanone
CID 43612904
1-(2-chlorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone
CID 107712924

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(2-ethylphenoxy)ethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(2-ethylphenoxy)ethanone (CID 43220079) is 1-(2,5-dichlorothiophen-3-yl)-2-(2-ethylphenoxy)ethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-(2-ethylphenoxy)ethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-(2-ethylphenoxy)ethanone is CCc1ccccc1OCC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-(2-ethylphenoxy)ethanone?
The InChIKey is CWXCWCQPENMFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O2S/c1-2-9-5-3-4-6-12(9)18-8-11(17)10-7-13(15)19-14(10)16/h3-7H,2,8H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-(2-ethylphenoxy)ethanone?
1-(2,5-dichlorothiophen-3-yl)-2-(2-ethylphenoxy)ethanone has a molecular weight of 315.22 g/mol, XLogP of 4.88, 5 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-(2-ethylphenoxy)ethanone is sourced from PubChem (CID 43220079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).