4-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-1-one

C15H17NO2S — CID 62030031

IUPAC4-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCOCCc1ccccn1)c1cccs1
InChIInChI=1S/C15H17NO2S/c17-14(15-7-4-12-19-15)6-3-10-18-11-8-13-5-1-2-9-16-13/h1-2,4-5,7,9,12H,3,6,8,10-11H2
InChIKeyQTXWFQZGGQKKDQ-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.37
Rot. Bonds8

About 4-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-1-one

4-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-1-one (PubChem CID 62030031) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 4-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-1-one
PubChem CID62030031
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name4-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCOCCc1ccccn1)c1cccs1
InChIInChI=1S/C15H17NO2S/c17-14(15-7-4-12-19-15)6-3-10-18-11-8-13-5-1-2-9-16-13/h1-2,4-5,7,9,12H,3,6,8,10-11H2
InChIKeyQTXWFQZGGQKKDQ-UHFFFAOYSA-N
XLogP3.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.37
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-phenoxy-1-thiophen-2-ylbutan-1-one
CID 43793631
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
CID 104563857
4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one
CID 63686952
4-pentoxy-1-thiophen-2-ylbutan-1-one
CID 43793850
6-(2-pyridin-2-ylethoxy)hexanoyl chloride
CID 15166942
7-(2-pyridin-2-ylethoxy)heptan-2-one
CID 23045048
4-pent-4-enoxy-1-thiophen-2-ylbutan-1-one
CID 79113092
4-but-2-enoxy-1-thiophen-2-ylbutan-1-one
CID 76938202
4-(2-chlorophenoxy)-1-thiophen-2-ylbutan-1-one
CID 62030266
4-(2-pyridin-2-ylethoxy)butanimidamide
CID 43128902
4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793680
2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine
CID 57198665

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-1-one (CID 62030031) is 4-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-1-one is O=C(CCCOCCc1ccccn1)c1cccs1.
What is the InChIKey of 4-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-1-one?
The InChIKey is QTXWFQZGGQKKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c17-14(15-7-4-12-19-15)6-3-10-18-11-8-13-5-1-2-9-16-13/h1-2,4-5,7,9,12H,3,6,8,10-11H2.
What are the key properties of 4-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-1-one?
4-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-1-one has a molecular weight of 275.37 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 62030031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).