1-(1-benzothiophen-7-yl)-2-ethylcyclohexan-1-ol

C16H20OS — CID 81142236

IUPAC1-(1-benzothiophen-7-yl)-2-ethylcyclohexan-1-ol
SMILESCCC1CCCCC1(O)c1cccc2ccsc12
InChIInChI=1S/C16H20OS/c1-2-13-7-3-4-10-16(13,17)14-8-5-6-12-9-11-18-15(12)14/h5-6,8-9,11,13,17H,2-4,7,10H2,1H3
InChIKeyGLKXLTKFOKSLDL-UHFFFAOYSA-N
MW260.40 g/mol
LogP4.69
Rot. Bonds2

About 1-(1-benzothiophen-7-yl)-2-ethylcyclohexan-1-ol

1-(1-benzothiophen-7-yl)-2-ethylcyclohexan-1-ol (PubChem CID 81142236) has the molecular formula C16H20OS and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2-ethylcyclohexan-1-ol
PubChem CID81142236
Molecular FormulaC16H20OS
Molecular Weight260.40 g/mol
Exact Mass260.12
IUPAC Name1-(1-benzothiophen-7-yl)-2-ethylcyclohexan-1-ol
SMILESCCC1CCCCC1(O)c1cccc2ccsc12
InChIInChI=1S/C16H20OS/c1-2-13-7-3-4-10-16(13,17)14-8-5-6-12-9-11-18-15(12)14/h5-6,8-9,11,13,17H,2-4,7,10H2,1H3
InChIKeyGLKXLTKFOKSLDL-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzothiophen-7-yl)-2-ethylcyclohexan-1-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 1-(1-benzothiophen-7-yl)-2-ethylcyclohexan-1-ol?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2-ethylcyclohexan-1-ol (CID 81142236) is 1-(1-benzothiophen-7-yl)-2-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2-ethylcyclohexan-1-ol?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2-ethylcyclohexan-1-ol is CCC1CCCCC1(O)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2-ethylcyclohexan-1-ol?
The InChIKey is GLKXLTKFOKSLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20OS/c1-2-13-7-3-4-10-16(13,17)14-8-5-6-12-9-11-18-15(12)14/h5-6,8-9,11,13,17H,2-4,7,10H2,1H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-2-ethylcyclohexan-1-ol?
1-(1-benzothiophen-7-yl)-2-ethylcyclohexan-1-ol has a molecular weight of 260.40 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-2-ethylcyclohexan-1-ol is sourced from PubChem (CID 81142236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).