5-(ethoxymethyl)-1-benzothiophene

C11H12OS — CID 102099380

IUPAC5-(ethoxymethyl)-1-benzothiophene
SMILESCCOCc1ccc2sccc2c1
InChIInChI=1S/C11H12OS/c1-2-12-8-9-3-4-11-10(7-9)5-6-13-11/h3-7H,2,8H2,1H3
InChIKeyDPBXHGHETMADOP-UHFFFAOYSA-N
MW192.28 g/mol
LogP3.44
Rot. Bonds3

About 5-(ethoxymethyl)-1-benzothiophene

5-(ethoxymethyl)-1-benzothiophene (PubChem CID 102099380) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is 5-(ethoxymethyl)-1-benzothiophene.

Molecular Properties

Compound Name5-(ethoxymethyl)-1-benzothiophene
PubChem CID102099380
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Name5-(ethoxymethyl)-1-benzothiophene
SMILESCCOCc1ccc2sccc2c1
InChIInChI=1S/C11H12OS/c1-2-12-8-9-3-4-11-10(7-9)5-6-13-11/h3-7H,2,8H2,1H3
InChIKeyDPBXHGHETMADOP-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 5-(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

Related Compounds

2-(ethoxymethyl)naphthalene
CID 11063138
1-(1-benzothiophen-5-yl)-2-methylpropan-2-amine
CID 124505719
2-[3-(1-benzothiophen-5-yl)propoxy]-N,N-diethylacetamide
CID 22666560
1-[2-(1-benzothiophen-5-yl)ethoxy]-N-methylpropan-2-amine
CID 141030590
2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-ethylamino]ethanol
CID 22666350
1-benzothiophen-5-ylmethanesulfonyl chloride
CID 11322580
5-butoxy-1-benzothiophene
CID 23058090
(1R)-1-(1-benzothiophen-5-yl)propan-1-amine
CID 130635680
N'-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-N-methylethane-1,2-diamine
CID 139922986
ethyl 2-(1-benzothiophen-5-yl)-2-oxoacetate
CID 56949853
7-(ethoxymethyl)naphthalene-2-carbaldehyde
CID 87484194
2-(1-benzothiophen-5-ylmethyl)guanidine;hydrobromide
CID 166213854

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-1-benzothiophene?
The IUPAC name of 5-(ethoxymethyl)-1-benzothiophene (CID 102099380) is 5-(ethoxymethyl)-1-benzothiophene.
What is the SMILES notation for 5-(ethoxymethyl)-1-benzothiophene?
The canonical SMILES for 5-(ethoxymethyl)-1-benzothiophene is CCOCc1ccc2sccc2c1.
What is the InChIKey of 5-(ethoxymethyl)-1-benzothiophene?
The InChIKey is DPBXHGHETMADOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS/c1-2-12-8-9-3-4-11-10(7-9)5-6-13-11/h3-7H,2,8H2,1H3.
What are the key properties of 5-(ethoxymethyl)-1-benzothiophene?
5-(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 5-(ethoxymethyl)-1-benzothiophene is sourced from PubChem (CID 102099380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).