1-(4-chloro-5-cyclohexylfuran-2-yl)ethanone

C12H15ClO2 — CID 84690816

IUPAC1-(4-chloro-5-cyclohexylfuran-2-yl)ethanone
SMILESCC(=O)c1cc(Cl)c(C2CCCCC2)o1
InChIInChI=1S/C12H15ClO2/c1-8(14)11-7-10(13)12(15-11)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyDKEWVUFWAYMVEU-UHFFFAOYSA-N
MW226.70 g/mol
LogP4.18
Rot. Bonds2

About 1-(4-chloro-5-cyclohexylfuran-2-yl)ethanone

1-(4-chloro-5-cyclohexylfuran-2-yl)ethanone (PubChem CID 84690816) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 1-(4-chloro-5-cyclohexylfuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-5-cyclohexylfuran-2-yl)ethanone
PubChem CID84690816
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name1-(4-chloro-5-cyclohexylfuran-2-yl)ethanone
SMILESCC(=O)c1cc(Cl)c(C2CCCCC2)o1
InChIInChI=1S/C12H15ClO2/c1-8(14)11-7-10(13)12(15-11)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyDKEWVUFWAYMVEU-UHFFFAOYSA-N
XLogP4.18
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-5-cyclohexylfuran-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-(4-chloro-5-cyclohexylfuran-2-yl)ethanone?
The IUPAC name of 1-(4-chloro-5-cyclohexylfuran-2-yl)ethanone (CID 84690816) is 1-(4-chloro-5-cyclohexylfuran-2-yl)ethanone.
What is the SMILES notation for 1-(4-chloro-5-cyclohexylfuran-2-yl)ethanone?
The canonical SMILES for 1-(4-chloro-5-cyclohexylfuran-2-yl)ethanone is CC(=O)c1cc(Cl)c(C2CCCCC2)o1.
What is the InChIKey of 1-(4-chloro-5-cyclohexylfuran-2-yl)ethanone?
The InChIKey is DKEWVUFWAYMVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-8(14)11-7-10(13)12(15-11)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3.
What are the key properties of 1-(4-chloro-5-cyclohexylfuran-2-yl)ethanone?
1-(4-chloro-5-cyclohexylfuran-2-yl)ethanone has a molecular weight of 226.70 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-5-cyclohexylfuran-2-yl)ethanone is sourced from PubChem (CID 84690816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).