5-(2-chloroethoxy)-1-benzothiophene

C10H9ClOS — CID 57428880

IUPAC5-(2-chloroethoxy)-1-benzothiophene
SMILESClCCOc1ccc2sccc2c1
InChIInChI=1S/C10H9ClOS/c11-4-5-12-9-1-2-10-8(7-9)3-6-13-10/h1-3,6-7H,4-5H2
InChIKeyAUAGGWAAFNBUDI-UHFFFAOYSA-N
MW212.70 g/mol
LogP3.52
Rot. Bonds3

About 5-(2-chloroethoxy)-1-benzothiophene

5-(2-chloroethoxy)-1-benzothiophene (PubChem CID 57428880) has the molecular formula C10H9ClOS and a molecular weight of 212.70 g/mol. Its IUPAC name is 5-(2-chloroethoxy)-1-benzothiophene.

Molecular Properties

Compound Name5-(2-chloroethoxy)-1-benzothiophene
PubChem CID57428880
Molecular FormulaC10H9ClOS
Molecular Weight212.70 g/mol
Exact Mass212.01
IUPAC Name5-(2-chloroethoxy)-1-benzothiophene
SMILESClCCOc1ccc2sccc2c1
InChIInChI=1S/C10H9ClOS/c11-4-5-12-9-1-2-10-8(7-9)3-6-13-10/h1-3,6-7H,4-5H2
InChIKeyAUAGGWAAFNBUDI-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.70
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethoxy)-1-benzothiophene?
The IUPAC name of 5-(2-chloroethoxy)-1-benzothiophene (CID 57428880) is 5-(2-chloroethoxy)-1-benzothiophene.
What is the SMILES notation for 5-(2-chloroethoxy)-1-benzothiophene?
The canonical SMILES for 5-(2-chloroethoxy)-1-benzothiophene is ClCCOc1ccc2sccc2c1.
What is the InChIKey of 5-(2-chloroethoxy)-1-benzothiophene?
The InChIKey is AUAGGWAAFNBUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClOS/c11-4-5-12-9-1-2-10-8(7-9)3-6-13-10/h1-3,6-7H,4-5H2.
What are the key properties of 5-(2-chloroethoxy)-1-benzothiophene?
5-(2-chloroethoxy)-1-benzothiophene has a molecular weight of 212.70 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethoxy)-1-benzothiophene is sourced from PubChem (CID 57428880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).