1-(5-chlorothiophen-2-yl)-2-(4-ethyl-2-methoxyphenoxy)ethanone

C15H15ClO3S — CID 107666440

IUPAC1-(5-chlorothiophen-2-yl)-2-(4-ethyl-2-methoxyphenoxy)ethanone
SMILESCCc1ccc(OCC(=O)c2ccc(Cl)s2)c(OC)c1
InChIInChI=1S/C15H15ClO3S/c1-3-10-4-5-12(13(8-10)18-2)19-9-11(17)14-6-7-15(16)20-14/h4-8H,3,9H2,1-2H3
InChIKeySUIWTPLFJOQCLN-UHFFFAOYSA-N
MW310.80 g/mol
LogP4.23
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-2-(4-ethyl-2-methoxyphenoxy)ethanone

1-(5-chlorothiophen-2-yl)-2-(4-ethyl-2-methoxyphenoxy)ethanone (PubChem CID 107666440) has the molecular formula C15H15ClO3S and a molecular weight of 310.80 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(4-ethyl-2-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(4-ethyl-2-methoxyphenoxy)ethanone
PubChem CID107666440
Molecular FormulaC15H15ClO3S
Molecular Weight310.80 g/mol
Exact Mass310.04
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(4-ethyl-2-methoxyphenoxy)ethanone
SMILESCCc1ccc(OCC(=O)c2ccc(Cl)s2)c(OC)c1
InChIInChI=1S/C15H15ClO3S/c1-3-10-4-5-12(13(8-10)18-2)19-9-11(17)14-6-7-15(16)20-14/h4-8H,3,9H2,1-2H3
InChIKeySUIWTPLFJOQCLN-UHFFFAOYSA-N
XLogP4.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 29220332
2-(2-tert-butyl-4-methylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 43425728
N,N-diethyl-2-(4-ethyl-2-methoxyphenoxy)acetamide
CID 154118386
3-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]-4-methylbenzonitrile
CID 113256525
2-(2-chloro-4-nitrophenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 2510894
2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone
CID 43799632
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
2-(1-bromonaphthalen-2-yl)oxy-1-(5-chlorothiophen-2-yl)ethanone
CID 60623247
1-(2,5-dichlorothiophen-3-yl)-2-(3,4-dimethoxyphenyl)ethanone
CID 43344752
4-[(4-ethyl-2-methoxyphenoxy)methyl]benzoic acid
CID 104637822
1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43411964
2-chloro-5-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine
CID 103866434

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(4-ethyl-2-methoxyphenoxy)ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(4-ethyl-2-methoxyphenoxy)ethanone (CID 107666440) is 1-(5-chlorothiophen-2-yl)-2-(4-ethyl-2-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(4-ethyl-2-methoxyphenoxy)ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(4-ethyl-2-methoxyphenoxy)ethanone is CCc1ccc(OCC(=O)c2ccc(Cl)s2)c(OC)c1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(4-ethyl-2-methoxyphenoxy)ethanone?
The InChIKey is SUIWTPLFJOQCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO3S/c1-3-10-4-5-12(13(8-10)18-2)19-9-11(17)14-6-7-15(16)20-14/h4-8H,3,9H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(4-ethyl-2-methoxyphenoxy)ethanone?
1-(5-chlorothiophen-2-yl)-2-(4-ethyl-2-methoxyphenoxy)ethanone has a molecular weight of 310.80 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(4-ethyl-2-methoxyphenoxy)ethanone is sourced from PubChem (CID 107666440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).