1-benzothiophen-7-yl-(1-ethylcyclopentyl)methanol

C16H20OS — CID 115827254

IUPAC1-benzothiophen-7-yl-(1-ethylcyclopentyl)methanol
SMILESCCC1(C(O)c2cccc3ccsc23)CCCC1
InChIInChI=1S/C16H20OS/c1-2-16(9-3-4-10-16)15(17)13-7-5-6-12-8-11-18-14(12)13/h5-8,11,15,17H,2-4,9-10H2,1H3
InChIKeyBLBULXICMVUCSD-UHFFFAOYSA-N
MW260.40 g/mol
LogP4.91
Rot. Bonds3

About 1-benzothiophen-7-yl-(1-ethylcyclopentyl)methanol

1-benzothiophen-7-yl-(1-ethylcyclopentyl)methanol (PubChem CID 115827254) has the molecular formula C16H20OS and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(1-ethylcyclopentyl)methanol.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(1-ethylcyclopentyl)methanol
PubChem CID115827254
Molecular FormulaC16H20OS
Molecular Weight260.40 g/mol
Exact Mass260.12
IUPAC Name1-benzothiophen-7-yl-(1-ethylcyclopentyl)methanol
SMILESCCC1(C(O)c2cccc3ccsc23)CCCC1
InChIInChI=1S/C16H20OS/c1-2-16(9-3-4-10-16)15(17)13-7-5-6-12-8-11-18-14(12)13/h5-8,11,15,17H,2-4,9-10H2,1H3
InChIKeyBLBULXICMVUCSD-UHFFFAOYSA-N
XLogP4.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzothiophen-7-yl-(1-ethylcyclopentyl)methanol 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-benzothiophen-7-yl-(1-ethylcyclopentyl)methanol?
The IUPAC name of 1-benzothiophen-7-yl-(1-ethylcyclopentyl)methanol (CID 115827254) is 1-benzothiophen-7-yl-(1-ethylcyclopentyl)methanol.
What is the SMILES notation for 1-benzothiophen-7-yl-(1-ethylcyclopentyl)methanol?
The canonical SMILES for 1-benzothiophen-7-yl-(1-ethylcyclopentyl)methanol is CCC1(C(O)c2cccc3ccsc23)CCCC1.
What is the InChIKey of 1-benzothiophen-7-yl-(1-ethylcyclopentyl)methanol?
The InChIKey is BLBULXICMVUCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20OS/c1-2-16(9-3-4-10-16)15(17)13-7-5-6-12-8-11-18-14(12)13/h5-8,11,15,17H,2-4,9-10H2,1H3.
What are the key properties of 1-benzothiophen-7-yl-(1-ethylcyclopentyl)methanol?
1-benzothiophen-7-yl-(1-ethylcyclopentyl)methanol has a molecular weight of 260.40 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(1-ethylcyclopentyl)methanol is sourced from PubChem (CID 115827254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).