1-(5-chlorofuran-2-yl)ethanone

C6H5ClO2 — CID 15206889

IUPAC1-(5-chlorofuran-2-yl)ethanone
SMILESCC(=O)c1ccc(Cl)o1
InChIInChI=1S/C6H5ClO2/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3
InChIKeyGURGKOPXEHNECX-UHFFFAOYSA-N
MW144.56 g/mol
LogP2.14
Rot. Bonds1

About 1-(5-chlorofuran-2-yl)ethanone

1-(5-chlorofuran-2-yl)ethanone (PubChem CID 15206889) has the molecular formula C6H5ClO2 and a molecular weight of 144.56 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)ethanone
PubChem CID15206889
Molecular FormulaC6H5ClO2
Molecular Weight144.56 g/mol
Exact Mass144.00
IUPAC Name1-(5-chlorofuran-2-yl)ethanone
SMILESCC(=O)c1ccc(Cl)o1
InChIInChI=1S/C6H5ClO2/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3
InChIKeyGURGKOPXEHNECX-UHFFFAOYSA-N
XLogP2.14
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.56
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5-chlorofuran-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)ethanone?
The IUPAC name of 1-(5-chlorofuran-2-yl)ethanone (CID 15206889) is 1-(5-chlorofuran-2-yl)ethanone.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)ethanone?
The canonical SMILES for 1-(5-chlorofuran-2-yl)ethanone is CC(=O)c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)ethanone?
The InChIKey is GURGKOPXEHNECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO2/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3.
What are the key properties of 1-(5-chlorofuran-2-yl)ethanone?
1-(5-chlorofuran-2-yl)ethanone has a molecular weight of 144.56 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)ethanone is sourced from PubChem (CID 15206889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).