1-(4-hydroxy-1-benzothiophen-5-yl)ethanone

C10H8O2S — CID 5274451

IUPAC1-(4-hydroxy-1-benzothiophen-5-yl)ethanone
SMILESCC(=O)c1ccc2sccc2c1O
InChIInChI=1S/C10H8O2S/c1-6(11)7-2-3-9-8(10(7)12)4-5-13-9/h2-5,12H,1H3
InChIKeyYUOYLURWXNTBHJ-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.81
Rot. Bonds1

About 1-(4-hydroxy-1-benzothiophen-5-yl)ethanone

1-(4-hydroxy-1-benzothiophen-5-yl)ethanone (PubChem CID 5274451) has the molecular formula C10H8O2S and a molecular weight of 192.24 g/mol. Its IUPAC name is 1-(4-hydroxy-1-benzothiophen-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-1-benzothiophen-5-yl)ethanone
PubChem CID5274451
Molecular FormulaC10H8O2S
Molecular Weight192.24 g/mol
Exact Mass192.02
IUPAC Name1-(4-hydroxy-1-benzothiophen-5-yl)ethanone
SMILESCC(=O)c1ccc2sccc2c1O
InChIInChI=1S/C10H8O2S/c1-6(11)7-2-3-9-8(10(7)12)4-5-13-9/h2-5,12H,1H3
InChIKeyYUOYLURWXNTBHJ-UHFFFAOYSA-N
XLogP2.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-hydroxy-1-benzothiophen-5-yl)ethanone 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 1-(4-hydroxy-1-benzothiophen-5-yl)ethanone?
The IUPAC name of 1-(4-hydroxy-1-benzothiophen-5-yl)ethanone (CID 5274451) is 1-(4-hydroxy-1-benzothiophen-5-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxy-1-benzothiophen-5-yl)ethanone?
The canonical SMILES for 1-(4-hydroxy-1-benzothiophen-5-yl)ethanone is CC(=O)c1ccc2sccc2c1O.
What is the InChIKey of 1-(4-hydroxy-1-benzothiophen-5-yl)ethanone?
The InChIKey is YUOYLURWXNTBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2S/c1-6(11)7-2-3-9-8(10(7)12)4-5-13-9/h2-5,12H,1H3.
What are the key properties of 1-(4-hydroxy-1-benzothiophen-5-yl)ethanone?
1-(4-hydroxy-1-benzothiophen-5-yl)ethanone has a molecular weight of 192.24 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1-benzothiophen-5-yl)ethanone is sourced from PubChem (CID 5274451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).