1-(5-ethylthiophen-2-yl)-2-(oxolan-3-yloxy)ethanone

C12H16O3S — CID 63558654

IUPAC1-(5-ethylthiophen-2-yl)-2-(oxolan-3-yloxy)ethanone
SMILESCCc1ccc(C(=O)COC2CCOC2)s1
InChIInChI=1S/C12H16O3S/c1-2-10-3-4-12(16-10)11(13)8-15-9-5-6-14-7-9/h3-4,9H,2,5-8H2,1H3
InChIKeyGTOQYHRFOIBCEN-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.30
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-2-(oxolan-3-yloxy)ethanone

1-(5-ethylthiophen-2-yl)-2-(oxolan-3-yloxy)ethanone (PubChem CID 63558654) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-(oxolan-3-yloxy)ethanone.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-(oxolan-3-yloxy)ethanone
PubChem CID63558654
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name1-(5-ethylthiophen-2-yl)-2-(oxolan-3-yloxy)ethanone
SMILESCCc1ccc(C(=O)COC2CCOC2)s1
InChIInChI=1S/C12H16O3S/c1-2-10-3-4-12(16-10)11(13)8-15-9-5-6-14-7-9/h3-4,9H,2,5-8H2,1H3
InChIKeyGTOQYHRFOIBCEN-UHFFFAOYSA-N
XLogP2.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-2-(oxolan-3-yloxy)ethanone
CID 63556467
1-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanone
CID 63557451
1-(5-ethylthiophen-2-yl)-2-pentoxyethanone
CID 43801255
3-cyclopropyl-1-(5-ethylthiophen-2-yl)propan-1-one
CID 114978214
1-(5-ethylthiophen-2-yl)-2-(3-methoxypropoxy)ethanone
CID 60918638
1-(2,5-dichlorophenyl)-2-(oxolan-3-yloxy)ethanone
CID 55225720
1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone
CID 43612279
1-(5-ethylthiophen-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanone
CID 103403816
1-(3-fluorophenyl)-2-(oxolan-3-yloxy)ethanone
CID 63559072
[2-(5-ethylthiophen-2-yl)-2-oxoethyl] 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate
CID 24671197
1-(5-ethylthiophen-2-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986260
1-[4-(oxolan-3-yloxy)phenyl]propan-1-one
CID 63557977

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(oxolan-3-yloxy)ethanone?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(oxolan-3-yloxy)ethanone (CID 63558654) is 1-(5-ethylthiophen-2-yl)-2-(oxolan-3-yloxy)ethanone.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-(oxolan-3-yloxy)ethanone?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-(oxolan-3-yloxy)ethanone is CCc1ccc(C(=O)COC2CCOC2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-(oxolan-3-yloxy)ethanone?
The InChIKey is GTOQYHRFOIBCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3S/c1-2-10-3-4-12(16-10)11(13)8-15-9-5-6-14-7-9/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-(oxolan-3-yloxy)ethanone?
1-(5-ethylthiophen-2-yl)-2-(oxolan-3-yloxy)ethanone has a molecular weight of 240.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-(oxolan-3-yloxy)ethanone is sourced from PubChem (CID 63558654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).