1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanone

C10H12O3S — CID 62805450

IUPAC1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)C1COCCO1
InChIInChI=1S/C10H12O3S/c11-9(5-8-1-4-14-7-8)10-6-12-2-3-13-10/h1,4,7,10H,2-3,5-6H2
InChIKeyGWUOOJSCYJVVTF-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.28
Rot. Bonds3

About 1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanone

1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanone (PubChem CID 62805450) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanone
PubChem CID62805450
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)C1COCCO1
InChIInChI=1S/C10H12O3S/c11-9(5-8-1-4-14-7-8)10-6-12-2-3-13-10/h1,4,7,10H,2-3,5-6H2
InChIKeyGWUOOJSCYJVVTF-UHFFFAOYSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanone
CID 79078299
1-(1,4-dioxan-2-yl)-2-thiophen-2-ylethanone
CID 62805632
2-(3-bromophenyl)-1-(1,4-dioxan-2-yl)ethanone
CID 62803295
2-(5-bromofuran-3-yl)-1-(1,4-dioxan-2-yl)ethanone
CID 131107631
2-(3,4-dimethoxyphenyl)-1-(1,4-dioxan-2-yl)ethanone
CID 62805451
1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanol
CID 65350596
1-(azetidin-3-yl)-2-thiophen-3-ylethanone
CID 116583807
1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 65351236
2-(5-bromo-2-pyridinyl)-1-(1,4-dioxan-2-yl)ethanone
CID 115801104
1-(4-aminocyclohexyl)-2-thiophen-3-ylethanone
CID 116557404
2-(2-thiophen-3-ylethyl)-1,3-dioxolane
CID 71386496
1-(1,3-dioxolan-2-yl)-4-thiophen-3-ylbutan-2-one
CID 103543685

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanone (CID 62805450) is 1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanone?
The InChIKey is GWUOOJSCYJVVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c11-9(5-8-1-4-14-7-8)10-6-12-2-3-13-10/h1,4,7,10H,2-3,5-6H2.
What are the key properties of 1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanone?
1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanone has a molecular weight of 212.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 62805450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).