4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one

C13H20O3S — CID 63686952

IUPAC4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one
SMILESCCCOCCOCCCC(=O)c1cccs1
InChIInChI=1S/C13H20O3S/c1-2-7-15-9-10-16-8-3-5-12(14)13-6-4-11-17-13/h4,6,11H,2-3,5,7-10H2,1H3
InChIKeyGXKHLCPPHWWIPW-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.15
Rot. Bonds10

About 4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one

4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one (PubChem CID 63686952) has the molecular formula C13H20O3S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one
PubChem CID63686952
Molecular FormulaC13H20O3S
Molecular Weight256.37 g/mol
Exact Mass256.11
IUPAC Name4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one
SMILESCCCOCCOCCCC(=O)c1cccs1
InChIInChI=1S/C13H20O3S/c1-2-7-15-9-10-16-8-3-5-12(14)13-6-4-11-17-13/h4,6,11H,2-3,5,7-10H2,1H3
InChIKeyGXKHLCPPHWWIPW-UHFFFAOYSA-N
XLogP3.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-pentoxy-1-thiophen-2-ylbutan-1-one
CID 43793850
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
CID 104563857
4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793680
4-but-2-enoxy-1-thiophen-2-ylbutan-1-one
CID 76938202
4-pent-4-enoxy-1-thiophen-2-ylbutan-1-one
CID 79113092
propyl 4-oxo-4-thiophen-2-ylbutanoate
CID 78788503
4-phenoxy-1-thiophen-2-ylbutan-1-one
CID 43793631
ethyl 5-oxo-5-thiophen-2-ylpentanoate
CID 94259951
4-pentylsulfanyl-1-thiophen-2-ylbutan-1-one
CID 107752475
1-thiophen-2-yl-4-(2,4,6-trimethylphenoxy)butan-1-one
CID 63567770
4-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-1-one
CID 62030031
butanoyl 4-oxo-4-thiophen-2-ylbutanoate
CID 174440154

Frequently Asked Questions

What is the IUPAC name of 4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one (CID 63686952) is 4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one is CCCOCCOCCCC(=O)c1cccs1.
What is the InChIKey of 4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one?
The InChIKey is GXKHLCPPHWWIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3S/c1-2-7-15-9-10-16-8-3-5-12(14)13-6-4-11-17-13/h4,6,11H,2-3,5,7-10H2,1H3.
What are the key properties of 4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one?
4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one has a molecular weight of 256.37 g/mol, XLogP of 3.15, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 63686952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).