2-hydroxy-2-phenyl-1-thiophen-2-ylethanone

C12H10O2S — CID 3603790

IUPAC2-hydroxy-2-phenyl-1-thiophen-2-ylethanone
SMILESO=C(c1cccs1)C(O)c1ccccc1
InChIInChI=1S/C12H10O2S/c13-11(9-5-2-1-3-6-9)12(14)10-7-4-8-15-10/h1-8,11,13H
InChIKeyYFZMKLUEORCQRT-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.66
Rot. Bonds3

About 2-hydroxy-2-phenyl-1-thiophen-2-ylethanone

2-hydroxy-2-phenyl-1-thiophen-2-ylethanone (PubChem CID 3603790) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-hydroxy-2-phenyl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-hydroxy-2-phenyl-1-thiophen-2-ylethanone
PubChem CID3603790
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name2-hydroxy-2-phenyl-1-thiophen-2-ylethanone
SMILESO=C(c1cccs1)C(O)c1ccccc1
InChIInChI=1S/C12H10O2S/c13-11(9-5-2-1-3-6-9)12(14)10-7-4-8-15-10/h1-8,11,13H
InChIKeyYFZMKLUEORCQRT-UHFFFAOYSA-N
XLogP2.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-2-phenyl-1-thiophen-2-ylethanone 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 2-hydroxy-2-phenyl-1-thiophen-2-ylethanone?
The IUPAC name of 2-hydroxy-2-phenyl-1-thiophen-2-ylethanone (CID 3603790) is 2-hydroxy-2-phenyl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-hydroxy-2-phenyl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-hydroxy-2-phenyl-1-thiophen-2-ylethanone is O=C(c1cccs1)C(O)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-phenyl-1-thiophen-2-ylethanone?
The InChIKey is YFZMKLUEORCQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S/c13-11(9-5-2-1-3-6-9)12(14)10-7-4-8-15-10/h1-8,11,13H.
What are the key properties of 2-hydroxy-2-phenyl-1-thiophen-2-ylethanone?
2-hydroxy-2-phenyl-1-thiophen-2-ylethanone has a molecular weight of 218.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenyl-1-thiophen-2-ylethanone is sourced from PubChem (CID 3603790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).