7-ethyl-1-benzothiophen-4-ol

C10H10OS — CID 119090134

IUPAC7-ethyl-1-benzothiophen-4-ol
SMILESCCc1ccc(O)c2ccsc12
InChIInChI=1S/C10H10OS/c1-2-7-3-4-9(11)8-5-6-12-10(7)8/h3-6,11H,2H2,1H3
InChIKeyIDXGUNNBPBNJAE-UHFFFAOYSA-N
MW178.26 g/mol
LogP3.17
Rot. Bonds1

About 7-ethyl-1-benzothiophen-4-ol

7-ethyl-1-benzothiophen-4-ol (PubChem CID 119090134) has the molecular formula C10H10OS and a molecular weight of 178.26 g/mol. Its IUPAC name is 7-ethyl-1-benzothiophen-4-ol.

Molecular Properties

Compound Name7-ethyl-1-benzothiophen-4-ol
PubChem CID119090134
Molecular FormulaC10H10OS
Molecular Weight178.26 g/mol
Exact Mass178.05
IUPAC Name7-ethyl-1-benzothiophen-4-ol
SMILESCCc1ccc(O)c2ccsc12
InChIInChI=1S/C10H10OS/c1-2-7-3-4-9(11)8-5-6-12-10(7)8/h3-6,11H,2H2,1H3
InChIKeyIDXGUNNBPBNJAE-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-ethyl-1-benzothiophen-4-ol 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 7-ethyl-1-benzothiophen-4-ol?
The IUPAC name of 7-ethyl-1-benzothiophen-4-ol (CID 119090134) is 7-ethyl-1-benzothiophen-4-ol.
What is the SMILES notation for 7-ethyl-1-benzothiophen-4-ol?
The canonical SMILES for 7-ethyl-1-benzothiophen-4-ol is CCc1ccc(O)c2ccsc12.
What is the InChIKey of 7-ethyl-1-benzothiophen-4-ol?
The InChIKey is IDXGUNNBPBNJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS/c1-2-7-3-4-9(11)8-5-6-12-10(7)8/h3-6,11H,2H2,1H3.
What are the key properties of 7-ethyl-1-benzothiophen-4-ol?
7-ethyl-1-benzothiophen-4-ol has a molecular weight of 178.26 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-benzothiophen-4-ol is sourced from PubChem (CID 119090134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).