1-(5-chlorofuran-2-yl)propan-2-one

C7H7ClO2 — CID 82652120

IUPAC1-(5-chlorofuran-2-yl)propan-2-one
SMILESCC(=O)Cc1ccc(Cl)o1
InChIInChI=1S/C7H7ClO2/c1-5(9)4-6-2-3-7(8)10-6/h2-3H,4H2,1H3
InChIKeyCYUNTNARVDXBSJ-UHFFFAOYSA-N
MW158.58 g/mol
LogP2.06
Rot. Bonds2

About 1-(5-chlorofuran-2-yl)propan-2-one

1-(5-chlorofuran-2-yl)propan-2-one (PubChem CID 82652120) has the molecular formula C7H7ClO2 and a molecular weight of 158.58 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)propan-2-one
PubChem CID82652120
Molecular FormulaC7H7ClO2
Molecular Weight158.58 g/mol
Exact Mass158.01
IUPAC Name1-(5-chlorofuran-2-yl)propan-2-one
SMILESCC(=O)Cc1ccc(Cl)o1
InChIInChI=1S/C7H7ClO2/c1-5(9)4-6-2-3-7(8)10-6/h2-3H,4H2,1H3
InChIKeyCYUNTNARVDXBSJ-UHFFFAOYSA-N
XLogP2.06
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.58
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5-chlorofuran-2-yl)propan-2-one 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)propan-2-one?
The IUPAC name of 1-(5-chlorofuran-2-yl)propan-2-one (CID 82652120) is 1-(5-chlorofuran-2-yl)propan-2-one.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)propan-2-one?
The canonical SMILES for 1-(5-chlorofuran-2-yl)propan-2-one is CC(=O)Cc1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)propan-2-one?
The InChIKey is CYUNTNARVDXBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO2/c1-5(9)4-6-2-3-7(8)10-6/h2-3H,4H2,1H3.
What are the key properties of 1-(5-chlorofuran-2-yl)propan-2-one?
1-(5-chlorofuran-2-yl)propan-2-one has a molecular weight of 158.58 g/mol, XLogP of 2.06, 2 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)propan-2-one is sourced from PubChem (CID 82652120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).