4-(iodomethyl)cyclohexan-1-one

C7H11IO — CID 15439179

IUPAC4-(iodomethyl)cyclohexan-1-one
SMILESO=C1CCC(CI)CC1
InChIInChI=1S/C7H11IO/c8-5-6-1-3-7(9)4-2-6/h6H,1-5H2
InChIKeyPHQQLEOISDXGPQ-UHFFFAOYSA-N
MW238.07 g/mol
LogP2.18
Rot. Bonds1

About 4-(iodomethyl)cyclohexan-1-one

4-(iodomethyl)cyclohexan-1-one (PubChem CID 15439179) has the molecular formula C7H11IO and a molecular weight of 238.07 g/mol. Its IUPAC name is 4-(iodomethyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(iodomethyl)cyclohexan-1-one
PubChem CID15439179
Molecular FormulaC7H11IO
Molecular Weight238.07 g/mol
Exact Mass237.99
IUPAC Name4-(iodomethyl)cyclohexan-1-one
SMILESO=C1CCC(CI)CC1
InChIInChI=1S/C7H11IO/c8-5-6-1-3-7(9)4-2-6/h6H,1-5H2
InChIKeyPHQQLEOISDXGPQ-UHFFFAOYSA-N
XLogP2.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(iodomethyl)cyclohexan-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

Frequently Asked Questions

What is the IUPAC name of 4-(iodomethyl)cyclohexan-1-one?
The IUPAC name of 4-(iodomethyl)cyclohexan-1-one (CID 15439179) is 4-(iodomethyl)cyclohexan-1-one.
What is the SMILES notation for 4-(iodomethyl)cyclohexan-1-one?
The canonical SMILES for 4-(iodomethyl)cyclohexan-1-one is O=C1CCC(CI)CC1.
What is the InChIKey of 4-(iodomethyl)cyclohexan-1-one?
The InChIKey is PHQQLEOISDXGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IO/c8-5-6-1-3-7(9)4-2-6/h6H,1-5H2.
What are the key properties of 4-(iodomethyl)cyclohexan-1-one?
4-(iodomethyl)cyclohexan-1-one has a molecular weight of 238.07 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iodomethyl)cyclohexan-1-one is sourced from PubChem (CID 15439179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).