2-(2-methyl-1-benzothiophen-7-yl)ethanol

C11H12OS — CID 12623874

IUPAC2-(2-methyl-1-benzothiophen-7-yl)ethanol
SMILESCc1cc2cccc(CCO)c2s1
InChIInChI=1S/C11H12OS/c1-8-7-10-4-2-3-9(5-6-12)11(10)13-8/h2-4,7,12H,5-6H2,1H3
InChIKeyWKFKVOFZZDJEQJ-UHFFFAOYSA-N
MW192.28 g/mol
LogP2.74
Rot. Bonds2

About 2-(2-methyl-1-benzothiophen-7-yl)ethanol

2-(2-methyl-1-benzothiophen-7-yl)ethanol (PubChem CID 12623874) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-(2-methyl-1-benzothiophen-7-yl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-1-benzothiophen-7-yl)ethanol
PubChem CID12623874
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Name2-(2-methyl-1-benzothiophen-7-yl)ethanol
SMILESCc1cc2cccc(CCO)c2s1
InChIInChI=1S/C11H12OS/c1-8-7-10-4-2-3-9(5-6-12)11(10)13-8/h2-4,7,12H,5-6H2,1H3
InChIKeyWKFKVOFZZDJEQJ-UHFFFAOYSA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-methyl-1-benzothiophen-7-yl)ethanol 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-(2-methyl-1-benzothiophen-7-yl)ethanol?
The IUPAC name of 2-(2-methyl-1-benzothiophen-7-yl)ethanol (CID 12623874) is 2-(2-methyl-1-benzothiophen-7-yl)ethanol.
What is the SMILES notation for 2-(2-methyl-1-benzothiophen-7-yl)ethanol?
The canonical SMILES for 2-(2-methyl-1-benzothiophen-7-yl)ethanol is Cc1cc2cccc(CCO)c2s1.
What is the InChIKey of 2-(2-methyl-1-benzothiophen-7-yl)ethanol?
The InChIKey is WKFKVOFZZDJEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS/c1-8-7-10-4-2-3-9(5-6-12)11(10)13-8/h2-4,7,12H,5-6H2,1H3.
What are the key properties of 2-(2-methyl-1-benzothiophen-7-yl)ethanol?
2-(2-methyl-1-benzothiophen-7-yl)ethanol has a molecular weight of 192.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-benzothiophen-7-yl)ethanol is sourced from PubChem (CID 12623874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).