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

C11H11ClOS — CID 130866123

IUPAC5-chloro-2-ethoxy-4-methyl-1-benzothiophene
SMILESCCOc1cc2c(C)c(Cl)ccc2s1
InChIInChI=1S/C11H11ClOS/c1-3-13-11-6-8-7(2)9(12)4-5-10(8)14-11/h4-6H,3H2,1-2H3
InChIKeyYWYCDDXIESILHN-UHFFFAOYSA-N
MW226.73 g/mol
LogP4.26
Rot. Bonds2

About 5-chloro-2-ethoxy-4-methyl-1-benzothiophene

5-chloro-2-ethoxy-4-methyl-1-benzothiophene (PubChem CID 130866123) has the molecular formula C11H11ClOS and a molecular weight of 226.73 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-4-methyl-1-benzothiophene.

Molecular Properties

Compound Name5-chloro-2-ethoxy-4-methyl-1-benzothiophene
PubChem CID130866123
Molecular FormulaC11H11ClOS
Molecular Weight226.73 g/mol
Exact Mass226.02
IUPAC Name5-chloro-2-ethoxy-4-methyl-1-benzothiophene
SMILESCCOc1cc2c(C)c(Cl)ccc2s1
InChIInChI=1S/C11H11ClOS/c1-3-13-11-6-8-7(2)9(12)4-5-10(8)14-11/h4-6H,3H2,1-2H3
InChIKeyYWYCDDXIESILHN-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

4,5-dichloro-2-ethoxy-1-benzothiophene
CID 130785955
4-bromo-2-ethoxy-1-benzothiophen-5-amine
CID 131031143
5-bromo-2-ethoxy-1-benzothiophene-4-thiol
CID 130866367
7,16-dibutoxy-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
CID 118651531
1-chloro-2-ethoxy-3,4-dimethylbenzene
CID 143804425
1-bromo-4-chloro-3-ethoxy-2-methylbenzene
CID 171000252
7-chloro-2-ethoxy-5-iodo-1-benzothiophene
CID 131218419
1,4-dichloro-2-(methoxymethoxy)-3-methylbenzene
CID 164512715
3-ethoxy-5-methyl-1-benzothiophene-2-carboxylic acid
CID 118444655
4-chloro-3-ethoxy-2-methyl-1-benzothiophene
CID 130884989
2-ethoxy-8-methoxydibenzothiophene
CID 172565133
2,4,5-trimethyl-1-benzothiophene
CID 54060383

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxy-4-methyl-1-benzothiophene?
The IUPAC name of 5-chloro-2-ethoxy-4-methyl-1-benzothiophene (CID 130866123) is 5-chloro-2-ethoxy-4-methyl-1-benzothiophene.
What is the SMILES notation for 5-chloro-2-ethoxy-4-methyl-1-benzothiophene?
The canonical SMILES for 5-chloro-2-ethoxy-4-methyl-1-benzothiophene is CCOc1cc2c(C)c(Cl)ccc2s1.
What is the InChIKey of 5-chloro-2-ethoxy-4-methyl-1-benzothiophene?
The InChIKey is YWYCDDXIESILHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClOS/c1-3-13-11-6-8-7(2)9(12)4-5-10(8)14-11/h4-6H,3H2,1-2H3.
What are the key properties of 5-chloro-2-ethoxy-4-methyl-1-benzothiophene?
5-chloro-2-ethoxy-4-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 5-chloro-2-ethoxy-4-methyl-1-benzothiophene is sourced from PubChem (CID 130866123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).