4-chloro-7-ethoxy-5-methyl-1-benzothiophene

C11H11ClOS — CID 130941817

IUPAC4-chloro-7-ethoxy-5-methyl-1-benzothiophene
SMILESCCOc1cc(C)c(Cl)c2ccsc12
InChIInChI=1S/C11H11ClOS/c1-3-13-9-6-7(2)10(12)8-4-5-14-11(8)9/h4-6H,3H2,1-2H3
InChIKeyFATBPVDNTGDQAO-UHFFFAOYSA-N
MW226.73 g/mol
LogP4.26
Rot. Bonds2

About 4-chloro-7-ethoxy-5-methyl-1-benzothiophene

4-chloro-7-ethoxy-5-methyl-1-benzothiophene (PubChem CID 130941817) has the molecular formula C11H11ClOS and a molecular weight of 226.73 g/mol. Its IUPAC name is 4-chloro-7-ethoxy-5-methyl-1-benzothiophene.

Molecular Properties

Compound Name4-chloro-7-ethoxy-5-methyl-1-benzothiophene
PubChem CID130941817
Molecular FormulaC11H11ClOS
Molecular Weight226.73 g/mol
Exact Mass226.02
IUPAC Name4-chloro-7-ethoxy-5-methyl-1-benzothiophene
SMILESCCOc1cc(C)c(Cl)c2ccsc12
InChIInChI=1S/C11H11ClOS/c1-3-13-9-6-7(2)10(12)8-4-5-14-11(8)9/h4-6H,3H2,1-2H3
InChIKeyFATBPVDNTGDQAO-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

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Related Compounds

4-chloro-7-ethoxy-1-benzothiophene-5-thiol
CID 131096748
4-bromo-6-ethoxy-7-methyl-1-benzothiophene
CID 130866038
(3-chloro-6-ethoxy-2,4-dimethylphenyl)-thiophen-2-ylmethanone
CID 82053341
6-chloro-7-ethoxy-4-fluoro-1-benzothiophene
CID 130826535
7-bromo-6-ethoxy-1-benzothiophen-4-amine
CID 131031142
3-chloro-6-ethoxy-2,4-dimethylaniline
CID 82053344
4-chloro-7-methoxy-1-benzothiophen-5-amine
CID 131060040
2,4-dichloro-1,5-diethoxy-3-methylbenzene
CID 90436867
7-ethoxy-6-iodo-5-methyl-1-benzothiophene
CID 131002181
5-ethoxy-4,6-dimethyl-1-benzothiophene
CID 130955667
(5-chloro-2-ethoxy-4-methylphenyl)-thiophen-2-ylmethanone
CID 82053103
4-chloro-5-(difluoromethyl)-1-benzothiophen-7-amine
CID 130926303

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-ethoxy-5-methyl-1-benzothiophene?
The IUPAC name of 4-chloro-7-ethoxy-5-methyl-1-benzothiophene (CID 130941817) is 4-chloro-7-ethoxy-5-methyl-1-benzothiophene.
What is the SMILES notation for 4-chloro-7-ethoxy-5-methyl-1-benzothiophene?
The canonical SMILES for 4-chloro-7-ethoxy-5-methyl-1-benzothiophene is CCOc1cc(C)c(Cl)c2ccsc12.
What is the InChIKey of 4-chloro-7-ethoxy-5-methyl-1-benzothiophene?
The InChIKey is FATBPVDNTGDQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClOS/c1-3-13-9-6-7(2)10(12)8-4-5-14-11(8)9/h4-6H,3H2,1-2H3.
What are the key properties of 4-chloro-7-ethoxy-5-methyl-1-benzothiophene?
4-chloro-7-ethoxy-5-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-7-ethoxy-5-methyl-1-benzothiophene is sourced from PubChem (CID 130941817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).