1-(5-ethylthiophen-2-yl)-3-(oxolan-3-yl)propan-2-one

C13H18O2S — CID 103986260

IUPAC1-(5-ethylthiophen-2-yl)-3-(oxolan-3-yl)propan-2-one
SMILESCCc1ccc(CC(=O)CC2CCOC2)s1
InChIInChI=1S/C13H18O2S/c1-2-12-3-4-13(16-12)8-11(14)7-10-5-6-15-9-10/h3-4,10H,2,5-9H2,1H3
InChIKeyTWSRAIFQFXMJND-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.85
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-3-(oxolan-3-yl)propan-2-one

1-(5-ethylthiophen-2-yl)-3-(oxolan-3-yl)propan-2-one (PubChem CID 103986260) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-3-(oxolan-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-3-(oxolan-3-yl)propan-2-one
PubChem CID103986260
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name1-(5-ethylthiophen-2-yl)-3-(oxolan-3-yl)propan-2-one
SMILESCCc1ccc(CC(=O)CC2CCOC2)s1
InChIInChI=1S/C13H18O2S/c1-2-12-3-4-13(16-12)8-11(14)7-10-5-6-15-9-10/h3-4,10H,2,5-9H2,1H3
InChIKeyTWSRAIFQFXMJND-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethylthiophen-2-yl)-3-piperidin-4-ylpropan-2-one
CID 116560034
1-(5-ethylthiophen-2-yl)-3-piperidin-3-ylpropan-2-one
CID 116564334
1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-one
CID 106867100
1-(oxolan-3-yl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 103986247
1-(oxan-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986313
1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986225
1-(2,3-difluorophenyl)-3-(oxolan-3-yl)propan-2-one
CID 103986174
1-(2,5-difluorophenyl)-3-(oxolan-3-yl)propan-2-one
CID 103986233
1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanone
CID 64982251
2-[(5-ethylthiophen-2-yl)methylamino]-N-(oxan-4-yl)acetamide
CID 106010838
1-(5-ethylthiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586701
1-(2-chloro-5-fluorophenyl)-3-(oxolan-3-yl)propan-2-one
CID 102617804

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-3-(oxolan-3-yl)propan-2-one?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-3-(oxolan-3-yl)propan-2-one (CID 103986260) is 1-(5-ethylthiophen-2-yl)-3-(oxolan-3-yl)propan-2-one.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-3-(oxolan-3-yl)propan-2-one?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-3-(oxolan-3-yl)propan-2-one is CCc1ccc(CC(=O)CC2CCOC2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-3-(oxolan-3-yl)propan-2-one?
The InChIKey is TWSRAIFQFXMJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-2-12-3-4-13(16-12)8-11(14)7-10-5-6-15-9-10/h3-4,10H,2,5-9H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-3-(oxolan-3-yl)propan-2-one?
1-(5-ethylthiophen-2-yl)-3-(oxolan-3-yl)propan-2-one has a molecular weight of 238.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-3-(oxolan-3-yl)propan-2-one is sourced from PubChem (CID 103986260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).