7-chloro-3-ethoxy-5-methyl-1-benzothiophene

C11H11ClOS — CID 130803883

IUPAC7-chloro-3-ethoxy-5-methyl-1-benzothiophene
SMILESCCOc1csc2c(Cl)cc(C)cc12
InChIInChI=1S/C11H11ClOS/c1-3-13-10-6-14-11-8(10)4-7(2)5-9(11)12/h4-6H,3H2,1-2H3
InChIKeyQCNYRBKWHZJERM-UHFFFAOYSA-N
MW226.73 g/mol
LogP4.26
Rot. Bonds2

About 7-chloro-3-ethoxy-5-methyl-1-benzothiophene

7-chloro-3-ethoxy-5-methyl-1-benzothiophene (PubChem CID 130803883) has the molecular formula C11H11ClOS and a molecular weight of 226.73 g/mol. Its IUPAC name is 7-chloro-3-ethoxy-5-methyl-1-benzothiophene.

Molecular Properties

Compound Name7-chloro-3-ethoxy-5-methyl-1-benzothiophene
PubChem CID130803883
Molecular FormulaC11H11ClOS
Molecular Weight226.73 g/mol
Exact Mass226.02
IUPAC Name7-chloro-3-ethoxy-5-methyl-1-benzothiophene
SMILESCCOc1csc2c(Cl)cc(C)cc12
InChIInChI=1S/C11H11ClOS/c1-3-13-10-6-14-11-8(10)4-7(2)5-9(11)12/h4-6H,3H2,1-2H3
InChIKeyQCNYRBKWHZJERM-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

3-ethoxy-7-fluoro-1-benzothiophen-5-ol
CID 131060270
5-chloro-3-ethoxy-6-iodo-1-benzothiophene
CID 130866122
5-chloro-3-ethoxy-1-benzothiophene
CID 119095235
4-chloro-3-ethoxy-1-benzothiophen-7-ol
CID 131060322
4-bromo-3-ethoxy-6-methyl-1-benzothiophene
CID 131138210
2-amino-1-(3-chloro-2-ethoxy-5-methylphenyl)ethanol
CID 83893998
2-(2-chloro-6-ethoxy-4-methylphenyl)acetic acid
CID 59030239
2-bromo-4-chloro-7-ethoxy-1-benzothiophene
CID 131080410
4-chloro-7-ethoxy-5-methyl-1-benzothiophene
CID 130941817
5-bromo-7-ethoxy-3-fluoro-1-benzothiophene
CID 131033808
6-bromo-3-ethoxy-7-iodo-1-benzothiophene
CID 130785792
2,4-dichloro-1,5-diethoxy-3-methylbenzene
CID 90436867

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-ethoxy-5-methyl-1-benzothiophene?
The IUPAC name of 7-chloro-3-ethoxy-5-methyl-1-benzothiophene (CID 130803883) is 7-chloro-3-ethoxy-5-methyl-1-benzothiophene.
What is the SMILES notation for 7-chloro-3-ethoxy-5-methyl-1-benzothiophene?
The canonical SMILES for 7-chloro-3-ethoxy-5-methyl-1-benzothiophene is CCOc1csc2c(Cl)cc(C)cc12.
What is the InChIKey of 7-chloro-3-ethoxy-5-methyl-1-benzothiophene?
The InChIKey is QCNYRBKWHZJERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClOS/c1-3-13-10-6-14-11-8(10)4-7(2)5-9(11)12/h4-6H,3H2,1-2H3.
What are the key properties of 7-chloro-3-ethoxy-5-methyl-1-benzothiophene?
7-chloro-3-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 7-chloro-3-ethoxy-5-methyl-1-benzothiophene is sourced from PubChem (CID 130803883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).