[4-(hydroxymethyl)phenyl]-phenyliodanium

C13H12IO+ — CID 140809539

IUPAC[4-(hydroxymethyl)phenyl]-phenyliodanium
SMILESOCc1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C13H12IO/c15-10-11-6-8-13(9-7-11)14-12-4-2-1-3-5-12/h1-9,15H,10H2/q+1
InChIKeyFMPNTVJAHOXRAJ-UHFFFAOYSA-N
MW311.14 g/mol
LogP-0.69
Rot. Bonds3

About [4-(hydroxymethyl)phenyl]-phenyliodanium

[4-(hydroxymethyl)phenyl]-phenyliodanium (PubChem CID 140809539) has the molecular formula C13H12IO+ and a molecular weight of 311.14 g/mol. Its IUPAC name is [4-(hydroxymethyl)phenyl]-phenyliodanium.

Molecular Properties

Compound Name[4-(hydroxymethyl)phenyl]-phenyliodanium
PubChem CID140809539
Molecular FormulaC13H12IO+
Molecular Weight311.14 g/mol
Exact Mass310.99
IUPAC Name[4-(hydroxymethyl)phenyl]-phenyliodanium
SMILESOCc1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C13H12IO/c15-10-11-6-8-13(9-7-11)14-12-4-2-1-3-5-12/h1-9,15H,10H2/q+1
InChIKeyFMPNTVJAHOXRAJ-UHFFFAOYSA-N
XLogP-0.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)phenyl]-phenyliodanium?
The IUPAC name of [4-(hydroxymethyl)phenyl]-phenyliodanium (CID 140809539) is [4-(hydroxymethyl)phenyl]-phenyliodanium.
What is the SMILES notation for [4-(hydroxymethyl)phenyl]-phenyliodanium?
The canonical SMILES for [4-(hydroxymethyl)phenyl]-phenyliodanium is OCc1ccc([I+]c2ccccc2)cc1.
What is the InChIKey of [4-(hydroxymethyl)phenyl]-phenyliodanium?
The InChIKey is FMPNTVJAHOXRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12IO/c15-10-11-6-8-13(9-7-11)14-12-4-2-1-3-5-12/h1-9,15H,10H2/q+1.
What are the key properties of [4-(hydroxymethyl)phenyl]-phenyliodanium?
[4-(hydroxymethyl)phenyl]-phenyliodanium has a molecular weight of 311.14 g/mol, XLogP of -0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)phenyl]-phenyliodanium is sourced from PubChem (CID 140809539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).