1-(5-chlorothiophen-2-yl)-2-ethylpentan-1-one

C11H15ClOS — CID 130457250

IUPAC1-(5-chlorothiophen-2-yl)-2-ethylpentan-1-one
SMILESCCCC(CC)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClOS/c1-3-5-8(4-2)11(13)9-6-7-10(12)14-9/h6-8H,3-5H2,1-2H3
InChIKeyYECUTJUHRGVADC-UHFFFAOYSA-N
MW230.76 g/mol
LogP4.41
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-2-ethylpentan-1-one

1-(5-chlorothiophen-2-yl)-2-ethylpentan-1-one (PubChem CID 130457250) has the molecular formula C11H15ClOS and a molecular weight of 230.76 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-ethylpentan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-ethylpentan-1-one
PubChem CID130457250
Molecular FormulaC11H15ClOS
Molecular Weight230.76 g/mol
Exact Mass230.05
IUPAC Name1-(5-chlorothiophen-2-yl)-2-ethylpentan-1-one
SMILESCCCC(CC)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClOS/c1-3-5-8(4-2)11(13)9-6-7-10(12)14-9/h6-8H,3-5H2,1-2H3
InChIKeyYECUTJUHRGVADC-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2763587
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CID 11105655
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CID 19556945
CID 19556945
CID 5467680
CID 5467680
CID 255128
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CID 5292843
CID 5292843
CID 13091616
CID 13091616
CID 3862480
CID 3862480
CID 901505
CID 901505
CID 4190811
CID 4190811
CID 11171208
CID 11171208

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-ethylpentan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-ethylpentan-1-one (CID 130457250) is 1-(5-chlorothiophen-2-yl)-2-ethylpentan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-ethylpentan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-ethylpentan-1-one is CCCC(CC)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-ethylpentan-1-one?
The InChIKey is YECUTJUHRGVADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClOS/c1-3-5-8(4-2)11(13)9-6-7-10(12)14-9/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-ethylpentan-1-one?
1-(5-chlorothiophen-2-yl)-2-ethylpentan-1-one has a molecular weight of 230.76 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-ethylpentan-1-one is sourced from PubChem (CID 130457250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).