7-ethoxy-1-benzothiophene

C10H10OS — CID 68789103

IUPAC7-ethoxy-1-benzothiophene
SMILESCCOc1cccc2ccsc12
InChIInChI=1S/C10H10OS/c1-2-11-9-5-3-4-8-6-7-12-10(8)9/h3-7H,2H2,1H3
InChIKeyLZQAPVUYSLGUTB-UHFFFAOYSA-N
MW178.26 g/mol
LogP3.30
Rot. Bonds2

About 7-ethoxy-1-benzothiophene

7-ethoxy-1-benzothiophene (PubChem CID 68789103) has the molecular formula C10H10OS and a molecular weight of 178.26 g/mol. Its IUPAC name is 7-ethoxy-1-benzothiophene.

Molecular Properties

Compound Name7-ethoxy-1-benzothiophene
PubChem CID68789103
Molecular FormulaC10H10OS
Molecular Weight178.26 g/mol
Exact Mass178.05
IUPAC Name7-ethoxy-1-benzothiophene
SMILESCCOc1cccc2ccsc12
InChIInChI=1S/C10H10OS/c1-2-11-9-5-3-4-8-6-7-12-10(8)9/h3-7H,2H2,1H3
InChIKeyLZQAPVUYSLGUTB-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-ethoxy-1,3-benzothiazole
CID 18461248
1-(1-benzothiophen-7-yl)-2-methoxybutan-1-one
CID 116707119
5-ethoxy-7-iodo-1-benzothiophene-6-thiol
CID 130988096
1-(1-benzothiophen-7-yl)-2-methylbutan-1-amine
CID 81154241
1-benzothiophen-7-yl N-methylcarbamate
CID 130006120
lithium;1-ethoxynaphthalene;hydride
CID 174613942
3-(1-benzothiophen-7-yloxy)azetidine
CID 84673442
7-(1-chlorobutyl)-1-benzothiophene
CID 126973958
ethane;7-methyl-1-benzothiophene
CID 143012583
[1-(1-benzothiophen-7-yl)-2-ethoxybutyl]hydrazine
CID 105270974
1-(1-benzothiophen-7-yl)-2-ethoxypentan-1-one
CID 116707740
1-ethoxyphenanthrene
CID 19828992

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-1-benzothiophene?
The IUPAC name of 7-ethoxy-1-benzothiophene (CID 68789103) is 7-ethoxy-1-benzothiophene.
What is the SMILES notation for 7-ethoxy-1-benzothiophene?
The canonical SMILES for 7-ethoxy-1-benzothiophene is CCOc1cccc2ccsc12.
What is the InChIKey of 7-ethoxy-1-benzothiophene?
The InChIKey is LZQAPVUYSLGUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS/c1-2-11-9-5-3-4-8-6-7-12-10(8)9/h3-7H,2H2,1H3.
What are the key properties of 7-ethoxy-1-benzothiophene?
7-ethoxy-1-benzothiophene has a molecular weight of 178.26 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-1-benzothiophene is sourced from PubChem (CID 68789103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).