(4-iodocyclohexyl)methanol

C7H13IO — CID 58192495

IUPAC(4-iodocyclohexyl)methanol
SMILESOCC1CCC(I)CC1
InChIInChI=1S/C7H13IO/c8-7-3-1-6(5-9)2-4-7/h6-7,9H,1-5H2
InChIKeyRNVXVWJHRPNXQJ-UHFFFAOYSA-N
MW240.08 g/mol
LogP1.97
Rot. Bonds1

About (4-iodocyclohexyl)methanol

(4-iodocyclohexyl)methanol (PubChem CID 58192495) has the molecular formula C7H13IO and a molecular weight of 240.08 g/mol. Its IUPAC name is (4-iodocyclohexyl)methanol.

Molecular Properties

Compound Name(4-iodocyclohexyl)methanol
PubChem CID58192495
Molecular FormulaC7H13IO
Molecular Weight240.08 g/mol
Exact Mass240.00
IUPAC Name(4-iodocyclohexyl)methanol
SMILESOCC1CCC(I)CC1
InChIInChI=1S/C7H13IO/c8-7-3-1-6(5-9)2-4-7/h6-7,9H,1-5H2
InChIKeyRNVXVWJHRPNXQJ-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.08
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-iodocyclohexyl)methanol 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-iodocyclohexyl)methanol?
The IUPAC name of (4-iodocyclohexyl)methanol (CID 58192495) is (4-iodocyclohexyl)methanol.
What is the SMILES notation for (4-iodocyclohexyl)methanol?
The canonical SMILES for (4-iodocyclohexyl)methanol is OCC1CCC(I)CC1.
What is the InChIKey of (4-iodocyclohexyl)methanol?
The InChIKey is RNVXVWJHRPNXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13IO/c8-7-3-1-6(5-9)2-4-7/h6-7,9H,1-5H2.
What are the key properties of (4-iodocyclohexyl)methanol?
(4-iodocyclohexyl)methanol has a molecular weight of 240.08 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodocyclohexyl)methanol is sourced from PubChem (CID 58192495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).