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

C11H13ClO2S — CID 62140850

IUPAC1-(5-chlorothiophen-2-yl)-2-cyclobutyloxypropan-1-one
SMILESCC(OC1CCC1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H13ClO2S/c1-7(14-8-3-2-4-8)11(13)9-5-6-10(12)15-9/h5-8H,2-4H2,1H3
InChIKeyOLAQWUBIYWMLJR-UHFFFAOYSA-N
MW244.74 g/mol
LogP3.54
Rot. Bonds4

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

1-(5-chlorothiophen-2-yl)-2-cyclobutyloxypropan-1-one (PubChem CID 62140850) has the molecular formula C11H13ClO2S and a molecular weight of 244.74 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-cyclobutyloxypropan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-cyclobutyloxypropan-1-one
PubChem CID62140850
Molecular FormulaC11H13ClO2S
Molecular Weight244.74 g/mol
Exact Mass244.03
IUPAC Name1-(5-chlorothiophen-2-yl)-2-cyclobutyloxypropan-1-one
SMILESCC(OC1CCC1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H13ClO2S/c1-7(14-8-3-2-4-8)11(13)9-5-6-10(12)15-9/h5-8H,2-4H2,1H3
InChIKeyOLAQWUBIYWMLJR-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(3,4-dimethylcyclohexyl)oxypropan-1-one
CID 64744208
1-(5-chlorothiophen-2-yl)-2-(cyclohexylmethoxy)propan-1-one
CID 62381541
1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(methyl)amino]propan-1-one
CID 43794657
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)propan-1-one
CID 43799779
1-(5-chlorothiophen-2-yl)-2-(3-methylbutoxy)propan-1-one
CID 43798494
1-(5-chlorothiophen-2-yl)-2-(4-methylpentoxy)propan-1-one
CID 43800457
2-(1,3-benzodioxol-5-yloxy)-1-(5-chlorothiophen-2-yl)propan-1-one
CID 43799201
1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylphenoxy)propan-1-one
CID 43799802
1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one
CID 60884100
2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)propan-1-one
CID 107725139
1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(propan-2-yl)amino]propan-1-one
CID 54999654

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-cyclobutyloxypropan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-cyclobutyloxypropan-1-one (CID 62140850) is 1-(5-chlorothiophen-2-yl)-2-cyclobutyloxypropan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-cyclobutyloxypropan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-cyclobutyloxypropan-1-one is CC(OC1CCC1)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-cyclobutyloxypropan-1-one?
The InChIKey is OLAQWUBIYWMLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2S/c1-7(14-8-3-2-4-8)11(13)9-5-6-10(12)15-9/h5-8H,2-4H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-cyclobutyloxypropan-1-one?
1-(5-chlorothiophen-2-yl)-2-cyclobutyloxypropan-1-one has a molecular weight of 244.74 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-cyclobutyloxypropan-1-one is sourced from PubChem (CID 62140850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).