methyl-[4-[(E)-prop-1-enyl]phenyl]iodanium

C10H12I+ — CID 177364767

IUPACmethyl-[4-[(E)-prop-1-enyl]phenyl]iodanium
SMILESC/C=C/c1ccc([I+]C)cc1
InChIInChI=1S/C10H12I/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/q+1/b4-3+
InChIKeyQRRLJSBMJAUSNQ-ONEGZZNKSA-N
MW259.11 g/mol
LogP-0.39
Rot. Bonds2

About methyl-[4-[(E)-prop-1-enyl]phenyl]iodanium

methyl-[4-[(E)-prop-1-enyl]phenyl]iodanium (PubChem CID 177364767) has the molecular formula C10H12I+ and a molecular weight of 259.11 g/mol. Its IUPAC name is methyl-[4-[(E)-prop-1-enyl]phenyl]iodanium.

Molecular Properties

Compound Namemethyl-[4-[(E)-prop-1-enyl]phenyl]iodanium
PubChem CID177364767
Molecular FormulaC10H12I+
Molecular Weight259.11 g/mol
Exact Mass259.00
IUPAC Namemethyl-[4-[(E)-prop-1-enyl]phenyl]iodanium
SMILESC/C=C/c1ccc([I+]C)cc1
InChIInChI=1S/C10H12I/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/q+1/b4-3+
InChIKeyQRRLJSBMJAUSNQ-ONEGZZNKSA-N
XLogP-0.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze methyl-[4-[(E)-prop-1-enyl]phenyl]iodanium 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 methyl-[4-[(E)-prop-1-enyl]phenyl]iodanium?
The IUPAC name of methyl-[4-[(E)-prop-1-enyl]phenyl]iodanium (CID 177364767) is methyl-[4-[(E)-prop-1-enyl]phenyl]iodanium.
What is the SMILES notation for methyl-[4-[(E)-prop-1-enyl]phenyl]iodanium?
The canonical SMILES for methyl-[4-[(E)-prop-1-enyl]phenyl]iodanium is C/C=C/c1ccc([I+]C)cc1.
What is the InChIKey of methyl-[4-[(E)-prop-1-enyl]phenyl]iodanium?
The InChIKey is QRRLJSBMJAUSNQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H12I/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/q+1/b4-3+.
What are the key properties of methyl-[4-[(E)-prop-1-enyl]phenyl]iodanium?
methyl-[4-[(E)-prop-1-enyl]phenyl]iodanium has a molecular weight of 259.11 g/mol, XLogP of -0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-[(E)-prop-1-enyl]phenyl]iodanium is sourced from PubChem (CID 177364767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).