2-(2-chloroethoxy)-1-thiophen-2-ylethanone

C8H9ClO2S — CID 162405963

IUPAC2-(2-chloroethoxy)-1-thiophen-2-ylethanone
SMILESO=C(COCCCl)c1cccs1
InChIInChI=1S/C8H9ClO2S/c9-3-4-11-6-7(10)8-2-1-5-12-8/h1-2,5H,3-4,6H2
InChIKeyGRTWJWAZBUJXCH-UHFFFAOYSA-N
MW204.68 g/mol
LogP2.19
Rot. Bonds5

About 2-(2-chloroethoxy)-1-thiophen-2-ylethanone

2-(2-chloroethoxy)-1-thiophen-2-ylethanone (PubChem CID 162405963) has the molecular formula C8H9ClO2S and a molecular weight of 204.68 g/mol. Its IUPAC name is 2-(2-chloroethoxy)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(2-chloroethoxy)-1-thiophen-2-ylethanone
PubChem CID162405963
Molecular FormulaC8H9ClO2S
Molecular Weight204.68 g/mol
Exact Mass204.00
IUPAC Name2-(2-chloroethoxy)-1-thiophen-2-ylethanone
SMILESO=C(COCCCl)c1cccs1
InChIInChI=1S/C8H9ClO2S/c9-3-4-11-6-7(10)8-2-1-5-12-8/h1-2,5H,3-4,6H2
InChIKeyGRTWJWAZBUJXCH-UHFFFAOYSA-N
XLogP2.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(2-chloroethoxy)-1-thiophen-2-ylethanone (CID 162405963) is 2-(2-chloroethoxy)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(2-chloroethoxy)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(2-chloroethoxy)-1-thiophen-2-ylethanone is O=C(COCCCl)c1cccs1.
What is the InChIKey of 2-(2-chloroethoxy)-1-thiophen-2-ylethanone?
The InChIKey is GRTWJWAZBUJXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2S/c9-3-4-11-6-7(10)8-2-1-5-12-8/h1-2,5H,3-4,6H2.
What are the key properties of 2-(2-chloroethoxy)-1-thiophen-2-ylethanone?
2-(2-chloroethoxy)-1-thiophen-2-ylethanone has a molecular weight of 204.68 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)-1-thiophen-2-ylethanone is sourced from PubChem (CID 162405963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).