4-hydroxy-1-thiophen-2-ylbutan-1-one

C8H10O2S — CID 10654724

IUPAC4-hydroxy-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCO)c1cccs1
InChIInChI=1S/C8H10O2S/c9-5-1-3-7(10)8-4-2-6-11-8/h2,4,6,9H,1,3,5H2
InChIKeyDWNUMPAWCCRIFT-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.70
Rot. Bonds4

About 4-hydroxy-1-thiophen-2-ylbutan-1-one

4-hydroxy-1-thiophen-2-ylbutan-1-one (PubChem CID 10654724) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 4-hydroxy-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-thiophen-2-ylbutan-1-one
PubChem CID10654724
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name4-hydroxy-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCO)c1cccs1
InChIInChI=1S/C8H10O2S/c9-5-1-3-7(10)8-4-2-6-11-8/h2,4,6,9H,1,3,5H2
InChIKeyDWNUMPAWCCRIFT-UHFFFAOYSA-N
XLogP1.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-1-thiophen-2-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-hydroxy-1-thiophen-2-ylbutan-1-one (CID 10654724) is 4-hydroxy-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-hydroxy-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-hydroxy-1-thiophen-2-ylbutan-1-one is O=C(CCCO)c1cccs1.
What is the InChIKey of 4-hydroxy-1-thiophen-2-ylbutan-1-one?
The InChIKey is DWNUMPAWCCRIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c9-5-1-3-7(10)8-4-2-6-11-8/h2,4,6,9H,1,3,5H2.
What are the key properties of 4-hydroxy-1-thiophen-2-ylbutan-1-one?
4-hydroxy-1-thiophen-2-ylbutan-1-one has a molecular weight of 170.23 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 10654724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).