4-(cyclohexyliminomethyl)-2-iodophenol

C13H16INO — CID 135625712

IUPAC4-(cyclohexyliminomethyl)-2-iodophenol
SMILESOc1ccc(/C=N/C2CCCCC2)cc1I
InChIInChI=1S/C13H16INO/c14-12-8-10(6-7-13(12)16)9-15-11-4-2-1-3-5-11/h6-9,11,16H,1-5H2/b15-9+
InChIKeyDOTFSVHBQCTYGV-OQLLNIDSSA-N
MW329.18 g/mol
LogP3.75
Rot. Bonds2

About 4-(cyclohexyliminomethyl)-2-iodophenol

4-(cyclohexyliminomethyl)-2-iodophenol (PubChem CID 135625712) has the molecular formula C13H16INO and a molecular weight of 329.18 g/mol. Its IUPAC name is 4-(cyclohexyliminomethyl)-2-iodophenol.

Molecular Properties

Compound Name4-(cyclohexyliminomethyl)-2-iodophenol
PubChem CID135625712
Molecular FormulaC13H16INO
Molecular Weight329.18 g/mol
Exact Mass329.03
IUPAC Name4-(cyclohexyliminomethyl)-2-iodophenol
SMILESOc1ccc(/C=N/C2CCCCC2)cc1I
InChIInChI=1S/C13H16INO/c14-12-8-10(6-7-13(12)16)9-15-11-4-2-1-3-5-11/h6-9,11,16H,1-5H2/b15-9+
InChIKeyDOTFSVHBQCTYGV-OQLLNIDSSA-N
XLogP3.75
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-(cyclohexyliminomethyl)-2-iodophenol 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-(cyclohexyliminomethyl)-2-iodophenol?
The IUPAC name of 4-(cyclohexyliminomethyl)-2-iodophenol (CID 135625712) is 4-(cyclohexyliminomethyl)-2-iodophenol.
What is the SMILES notation for 4-(cyclohexyliminomethyl)-2-iodophenol?
The canonical SMILES for 4-(cyclohexyliminomethyl)-2-iodophenol is Oc1ccc(/C=N/C2CCCCC2)cc1I.
What is the InChIKey of 4-(cyclohexyliminomethyl)-2-iodophenol?
The InChIKey is DOTFSVHBQCTYGV-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H16INO/c14-12-8-10(6-7-13(12)16)9-15-11-4-2-1-3-5-11/h6-9,11,16H,1-5H2/b15-9+.
What are the key properties of 4-(cyclohexyliminomethyl)-2-iodophenol?
4-(cyclohexyliminomethyl)-2-iodophenol has a molecular weight of 329.18 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexyliminomethyl)-2-iodophenol is sourced from PubChem (CID 135625712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).