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

C11H11ClOS — CID 130971610

IUPAC7-chloro-5-ethyl-4-methoxy-1-benzothiophene
SMILESCCc1cc(Cl)c2sccc2c1OC
InChIInChI=1S/C11H11ClOS/c1-3-7-6-9(12)11-8(4-5-14-11)10(7)13-2/h4-6H,3H2,1-2H3
InChIKeyLSBWAQIJTLXKFE-UHFFFAOYSA-N
MW226.73 g/mol
LogP4.13
Rot. Bonds2

About 7-chloro-5-ethyl-4-methoxy-1-benzothiophene

7-chloro-5-ethyl-4-methoxy-1-benzothiophene (PubChem CID 130971610) has the molecular formula C11H11ClOS and a molecular weight of 226.73 g/mol. Its IUPAC name is 7-chloro-5-ethyl-4-methoxy-1-benzothiophene.

Molecular Properties

Compound Name7-chloro-5-ethyl-4-methoxy-1-benzothiophene
PubChem CID130971610
Molecular FormulaC11H11ClOS
Molecular Weight226.73 g/mol
Exact Mass226.02
IUPAC Name7-chloro-5-ethyl-4-methoxy-1-benzothiophene
SMILESCCc1cc(Cl)c2sccc2c1OC
InChIInChI=1S/C11H11ClOS/c1-3-7-6-9(12)11-8(4-5-14-11)10(7)13-2/h4-6H,3H2,1-2H3
InChIKeyLSBWAQIJTLXKFE-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

7-ethyl-4-methoxy-1-benzothiophen-5-amine
CID 130788703
5-chloro-4,7-diethyl-1-benzothiophene
CID 131059958
5-chloro-4-methoxy-1-benzothiophen-7-amine
CID 130823667
6-chloro-4-fluoro-7-methoxy-1-benzothiophene
CID 130866206
(7-fluoro-4-methoxy-1-benzothiophen-5-yl)methanol
CID 131000571
7-(chloromethyl)-5-iodo-4-methoxy-1-benzothiophene
CID 131122640
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
7-bromo-4,6-diethyl-1-benzothiophene
CID 130826571
(7-chloro-4-iodo-1-benzothiophen-5-yl)methanol
CID 131031169
4,6-diiodo-7-methoxy-1-benzothiophene
CID 130926208
7-chloro-4-propyl-1-benzothiophene
CID 123468931
(5-chloro-3-ethyl-2-methoxyphenyl)phosphane
CID 142101436

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-ethyl-4-methoxy-1-benzothiophene?
The IUPAC name of 7-chloro-5-ethyl-4-methoxy-1-benzothiophene (CID 130971610) is 7-chloro-5-ethyl-4-methoxy-1-benzothiophene.
What is the SMILES notation for 7-chloro-5-ethyl-4-methoxy-1-benzothiophene?
The canonical SMILES for 7-chloro-5-ethyl-4-methoxy-1-benzothiophene is CCc1cc(Cl)c2sccc2c1OC.
What is the InChIKey of 7-chloro-5-ethyl-4-methoxy-1-benzothiophene?
The InChIKey is LSBWAQIJTLXKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClOS/c1-3-7-6-9(12)11-8(4-5-14-11)10(7)13-2/h4-6H,3H2,1-2H3.
What are the key properties of 7-chloro-5-ethyl-4-methoxy-1-benzothiophene?
7-chloro-5-ethyl-4-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 7-chloro-5-ethyl-4-methoxy-1-benzothiophene is sourced from PubChem (CID 130971610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).