4-chloro-3-ethoxy-2-methyl-1-benzothiophene

C11H11ClOS — CID 130884989

IUPAC4-chloro-3-ethoxy-2-methyl-1-benzothiophene
SMILESCCOc1c(C)sc2cccc(Cl)c12
InChIInChI=1S/C11H11ClOS/c1-3-13-11-7(2)14-9-6-4-5-8(12)10(9)11/h4-6H,3H2,1-2H3
InChIKeyYNCABISPHPKHNK-UHFFFAOYSA-N
MW226.73 g/mol
LogP4.26
Rot. Bonds2

About 4-chloro-3-ethoxy-2-methyl-1-benzothiophene

4-chloro-3-ethoxy-2-methyl-1-benzothiophene (PubChem CID 130884989) has the molecular formula C11H11ClOS and a molecular weight of 226.73 g/mol. Its IUPAC name is 4-chloro-3-ethoxy-2-methyl-1-benzothiophene.

Molecular Properties

Compound Name4-chloro-3-ethoxy-2-methyl-1-benzothiophene
PubChem CID130884989
Molecular FormulaC11H11ClOS
Molecular Weight226.73 g/mol
Exact Mass226.02
IUPAC Name4-chloro-3-ethoxy-2-methyl-1-benzothiophene
SMILESCCOc1c(C)sc2cccc(Cl)c12
InChIInChI=1S/C11H11ClOS/c1-3-13-11-7(2)14-9-6-4-5-8(12)10(9)11/h4-6H,3H2,1-2H3
InChIKeyYNCABISPHPKHNK-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-3-ethoxy-2-methyl-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

3-ethoxy-2,4-dimethyl-1-benzothiophene
CID 131169695
2-bromo-4-chloro-3-ethoxy-1-benzothiophene
CID 131034318
1,8-dichloro-9,10-diethoxyanthracene
CID 139930191
4-chloro-2-methyl-1-benzothiophen-3-ol
CID 130793528
3,4-dichloro-2-fluoro-1-benzothiophene
CID 130870260
1-chloro-2-ethoxy-3-propylbenzene
CID 143260119
1,5-dichloro-4-ethoxyisoquinoline
CID 86683274
(3-chloro-2-ethoxyphenyl)hydrazine
CID 130779145
11-chloronaphtho[2,1-b][1]benzothiole
CID 166503443
3-chloro-2,4-dimethyl-1-benzothiophene;ethane
CID 143520176
3-bromo-7-chloro-2-ethoxy-1-benzothiophene
CID 130786023
4-chloro-3-(ethoxymethyl)-1-benzothiophene
CID 117170982

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethoxy-2-methyl-1-benzothiophene?
The IUPAC name of 4-chloro-3-ethoxy-2-methyl-1-benzothiophene (CID 130884989) is 4-chloro-3-ethoxy-2-methyl-1-benzothiophene.
What is the SMILES notation for 4-chloro-3-ethoxy-2-methyl-1-benzothiophene?
The canonical SMILES for 4-chloro-3-ethoxy-2-methyl-1-benzothiophene is CCOc1c(C)sc2cccc(Cl)c12.
What is the InChIKey of 4-chloro-3-ethoxy-2-methyl-1-benzothiophene?
The InChIKey is YNCABISPHPKHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClOS/c1-3-13-11-7(2)14-9-6-4-5-8(12)10(9)11/h4-6H,3H2,1-2H3.
What are the key properties of 4-chloro-3-ethoxy-2-methyl-1-benzothiophene?
4-chloro-3-ethoxy-2-methyl-1-benzothiophene has a molecular weight of 226.73 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethoxy-2-methyl-1-benzothiophene is sourced from PubChem (CID 130884989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).