2-(ethoxymethyl)-1-benzothiophene

C11H12OS — CID 89227680

IUPAC2-(ethoxymethyl)-1-benzothiophene
SMILESCCOCc1cc2ccccc2s1
InChIInChI=1S/C11H12OS/c1-2-12-8-10-7-9-5-3-4-6-11(9)13-10/h3-7H,2,8H2,1H3
InChIKeyOVWIBJUEBQPZEG-UHFFFAOYSA-N
MW192.28 g/mol
LogP3.44
Rot. Bonds3

About 2-(ethoxymethyl)-1-benzothiophene

2-(ethoxymethyl)-1-benzothiophene (PubChem CID 89227680) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1-benzothiophene.

Molecular Properties

Compound Name2-(ethoxymethyl)-1-benzothiophene
PubChem CID89227680
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Name2-(ethoxymethyl)-1-benzothiophene
SMILESCCOCc1cc2ccccc2s1
InChIInChI=1S/C11H12OS/c1-2-12-8-10-7-9-5-3-4-6-11(9)13-10/h3-7H,2,8H2,1H3
InChIKeyOVWIBJUEBQPZEG-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(ethoxymethyl)-1-benzothiophene 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-(ethoxymethyl)-1-benzothiophene?
The IUPAC name of 2-(ethoxymethyl)-1-benzothiophene (CID 89227680) is 2-(ethoxymethyl)-1-benzothiophene.
What is the SMILES notation for 2-(ethoxymethyl)-1-benzothiophene?
The canonical SMILES for 2-(ethoxymethyl)-1-benzothiophene is CCOCc1cc2ccccc2s1.
What is the InChIKey of 2-(ethoxymethyl)-1-benzothiophene?
The InChIKey is OVWIBJUEBQPZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS/c1-2-12-8-10-7-9-5-3-4-6-11(9)13-10/h3-7H,2,8H2,1H3.
What are the key properties of 2-(ethoxymethyl)-1-benzothiophene?
2-(ethoxymethyl)-1-benzothiophene has a molecular weight of 192.28 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1-benzothiophene is sourced from PubChem (CID 89227680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).