5-chloro-4-ethyl-3-methoxy-1-benzothiophene

C11H11ClOS — CID 131096691

IUPAC5-chloro-4-ethyl-3-methoxy-1-benzothiophene
SMILESCCc1c(Cl)ccc2scc(OC)c12
InChIInChI=1S/C11H11ClOS/c1-3-7-8(12)4-5-10-11(7)9(13-2)6-14-10/h4-6H,3H2,1-2H3
InChIKeyQUPWJSDBOGWICG-UHFFFAOYSA-N
MW226.73 g/mol
LogP4.13
Rot. Bonds2

About 5-chloro-4-ethyl-3-methoxy-1-benzothiophene

5-chloro-4-ethyl-3-methoxy-1-benzothiophene (PubChem CID 131096691) has the molecular formula C11H11ClOS and a molecular weight of 226.73 g/mol. Its IUPAC name is 5-chloro-4-ethyl-3-methoxy-1-benzothiophene.

Molecular Properties

Compound Name5-chloro-4-ethyl-3-methoxy-1-benzothiophene
PubChem CID131096691
Molecular FormulaC11H11ClOS
Molecular Weight226.73 g/mol
Exact Mass226.02
IUPAC Name5-chloro-4-ethyl-3-methoxy-1-benzothiophene
SMILESCCc1c(Cl)ccc2scc(OC)c12
InChIInChI=1S/C11H11ClOS/c1-3-7-8(12)4-5-10-11(7)9(13-2)6-14-10/h4-6H,3H2,1-2H3
InChIKeyQUPWJSDBOGWICG-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-2-ethyl-4-methoxy-3-methylbenzene
CID 118491478
1-chloro-2-ethyl-3-fluoro-4-methoxybenzene
CID 118261733
3,5-dichloro-4-methoxy-1-benzothiophene
CID 130865286
3-methoxy-5-methyl-1-benzothiophene-4-carbonitrile
CID 131197251
4-iodo-3-methoxy-1-benzothiophene-5-carbaldehyde
CID 131123421
4-(bromomethyl)-5-methoxy-1-benzothiophene-3-thiol
CID 130839251
6-chloro-3-methoxy-1-benzothiophen-4-ol
CID 130970027
5-bromo-1-chloro-2-ethyl-3-methoxybenzene
CID 84707034
2-(3-chloro-4-ethyl-5-methoxyphenyl)propan-2-amine
CID 117327994
[5-chloro-4-(chloromethyl)-1-benzothiophen-3-yl]methanol
CID 131123869
methyl 4-chloro-3-methoxy-1-benzothiophene-7-carboxylate
CID 57012464
1-(3-chloro-4-ethyl-5-methoxyphenyl)-2-methylpropan-2-amine
CID 117356705

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethyl-3-methoxy-1-benzothiophene?
The IUPAC name of 5-chloro-4-ethyl-3-methoxy-1-benzothiophene (CID 131096691) is 5-chloro-4-ethyl-3-methoxy-1-benzothiophene.
What is the SMILES notation for 5-chloro-4-ethyl-3-methoxy-1-benzothiophene?
The canonical SMILES for 5-chloro-4-ethyl-3-methoxy-1-benzothiophene is CCc1c(Cl)ccc2scc(OC)c12.
What is the InChIKey of 5-chloro-4-ethyl-3-methoxy-1-benzothiophene?
The InChIKey is QUPWJSDBOGWICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClOS/c1-3-7-8(12)4-5-10-11(7)9(13-2)6-14-10/h4-6H,3H2,1-2H3.
What are the key properties of 5-chloro-4-ethyl-3-methoxy-1-benzothiophene?
5-chloro-4-ethyl-3-methoxy-1-benzothiophene has a molecular weight of 226.73 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethyl-3-methoxy-1-benzothiophene is sourced from PubChem (CID 131096691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).