3-(2-chloro-6-iodophenyl)-1-cyclohexylpropan-1-one

C15H18ClIO — CID 135228814

IUPAC3-(2-chloro-6-iodophenyl)-1-cyclohexylpropan-1-one
SMILESO=C(CCc1c(Cl)cccc1I)C1CCCCC1
InChIInChI=1S/C15H18ClIO/c16-13-7-4-8-14(17)12(13)9-10-15(18)11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2
InChIKeyOOUWKLJDDAZFKG-UHFFFAOYSA-N
MW376.67 g/mol
LogP5.03
Rot. Bonds4

About 3-(2-chloro-6-iodophenyl)-1-cyclohexylpropan-1-one

3-(2-chloro-6-iodophenyl)-1-cyclohexylpropan-1-one (PubChem CID 135228814) has the molecular formula C15H18ClIO and a molecular weight of 376.67 g/mol. Its IUPAC name is 3-(2-chloro-6-iodophenyl)-1-cyclohexylpropan-1-one.

Molecular Properties

Compound Name3-(2-chloro-6-iodophenyl)-1-cyclohexylpropan-1-one
PubChem CID135228814
Molecular FormulaC15H18ClIO
Molecular Weight376.67 g/mol
Exact Mass376.01
IUPAC Name3-(2-chloro-6-iodophenyl)-1-cyclohexylpropan-1-one
SMILESO=C(CCc1c(Cl)cccc1I)C1CCCCC1
InChIInChI=1S/C15H18ClIO/c16-13-7-4-8-14(17)12(13)9-10-15(18)11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2
InChIKeyOOUWKLJDDAZFKG-UHFFFAOYSA-N
XLogP5.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.67
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(2-chloro-6-iodophenyl)-1-cyclohexylpropan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-cyclopentyl-3-(2,6-dichlorophenoxy)propan-1-one
CID 39387933
1-cyclobutyl-3-(furan-2-yl)propan-1-one
CID 105133720
1-cyclohexyl-4-phenylbutan-1-one
CID 11481636
1-cyclopropyl-3-(2,6-difluorophenyl)propan-1-one
CID 64506189
2-(2-chlorophenyl)-1-cycloheptylethanone
CID 55091340
3-(3-chloro-4-hydroxyphenyl)-1-cyclopentylpropan-1-one
CID 58762696
1-cyclohexyl-3-(2-methylphenyl)propan-1-one
CID 24725660
2-(3-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 82802271
3-(4-chloro-3-fluorophenyl)-1-cyclopentylpropan-1-one
CID 107882824
3-(3-chloro-4-fluorophenyl)-1-cyclopentylpropan-1-one
CID 103038591
2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanone
CID 115736295
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-iodophenyl)-1-cyclohexylpropan-1-one?
The IUPAC name of 3-(2-chloro-6-iodophenyl)-1-cyclohexylpropan-1-one (CID 135228814) is 3-(2-chloro-6-iodophenyl)-1-cyclohexylpropan-1-one.
What is the SMILES notation for 3-(2-chloro-6-iodophenyl)-1-cyclohexylpropan-1-one?
The canonical SMILES for 3-(2-chloro-6-iodophenyl)-1-cyclohexylpropan-1-one is O=C(CCc1c(Cl)cccc1I)C1CCCCC1.
What is the InChIKey of 3-(2-chloro-6-iodophenyl)-1-cyclohexylpropan-1-one?
The InChIKey is OOUWKLJDDAZFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClIO/c16-13-7-4-8-14(17)12(13)9-10-15(18)11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2.
What are the key properties of 3-(2-chloro-6-iodophenyl)-1-cyclohexylpropan-1-one?
3-(2-chloro-6-iodophenyl)-1-cyclohexylpropan-1-one has a molecular weight of 376.67 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-iodophenyl)-1-cyclohexylpropan-1-one is sourced from PubChem (CID 135228814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).