5-chloro-3-ethoxy-1-benzothiophene

C10H9ClOS — CID 119095235

IUPAC5-chloro-3-ethoxy-1-benzothiophene
SMILESCCOc1csc2ccc(Cl)cc12
InChIInChI=1S/C10H9ClOS/c1-2-12-9-6-13-10-4-3-7(11)5-8(9)10/h3-6H,2H2,1H3
InChIKeyOEBYPYQQUPSYNK-UHFFFAOYSA-N
MW212.70 g/mol
LogP3.95
Rot. Bonds2

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

5-chloro-3-ethoxy-1-benzothiophene (PubChem CID 119095235) has the molecular formula C10H9ClOS and a molecular weight of 212.70 g/mol. Its IUPAC name is 5-chloro-3-ethoxy-1-benzothiophene.

Molecular Properties

Compound Name5-chloro-3-ethoxy-1-benzothiophene
PubChem CID119095235
Molecular FormulaC10H9ClOS
Molecular Weight212.70 g/mol
Exact Mass212.01
IUPAC Name5-chloro-3-ethoxy-1-benzothiophene
SMILESCCOc1csc2ccc(Cl)cc12
InChIInChI=1S/C10H9ClOS/c1-2-12-9-6-13-10-4-3-7(11)5-8(9)10/h3-6H,2H2,1H3
InChIKeyOEBYPYQQUPSYNK-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.70
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethoxy-1-benzothiophene?
The IUPAC name of 5-chloro-3-ethoxy-1-benzothiophene (CID 119095235) is 5-chloro-3-ethoxy-1-benzothiophene.
What is the SMILES notation for 5-chloro-3-ethoxy-1-benzothiophene?
The canonical SMILES for 5-chloro-3-ethoxy-1-benzothiophene is CCOc1csc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-ethoxy-1-benzothiophene?
The InChIKey is OEBYPYQQUPSYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClOS/c1-2-12-9-6-13-10-4-3-7(11)5-8(9)10/h3-6H,2H2,1H3.
What are the key properties of 5-chloro-3-ethoxy-1-benzothiophene?
5-chloro-3-ethoxy-1-benzothiophene has a molecular weight of 212.70 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethoxy-1-benzothiophene is sourced from PubChem (CID 119095235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).