iodo-(2,4,6-trimethylphenyl)phosphane

C9H12IP — CID 135232521

IUPACiodo-(2,4,6-trimethylphenyl)phosphane
SMILESCc1cc(C)c(PI)c(C)c1
InChIInChI=1S/C9H12IP/c1-6-4-7(2)9(11-10)8(3)5-6/h4-5,11H,1-3H3
InChIKeyRYTUZVSPAYTIDD-UHFFFAOYSA-N
MW278.07 g/mol
LogP3.27
Rot. Bonds1

About iodo-(2,4,6-trimethylphenyl)phosphane

iodo-(2,4,6-trimethylphenyl)phosphane (PubChem CID 135232521) has the molecular formula C9H12IP and a molecular weight of 278.07 g/mol. Its IUPAC name is iodo-(2,4,6-trimethylphenyl)phosphane.

Molecular Properties

Compound Nameiodo-(2,4,6-trimethylphenyl)phosphane
PubChem CID135232521
Molecular FormulaC9H12IP
Molecular Weight278.07 g/mol
Exact Mass277.97
IUPAC Nameiodo-(2,4,6-trimethylphenyl)phosphane
SMILESCc1cc(C)c(PI)c(C)c1
InChIInChI=1S/C9H12IP/c1-6-4-7(2)9(11-10)8(3)5-6/h4-5,11H,1-3H3
InChIKeyRYTUZVSPAYTIDD-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.07
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iodo-(2,4,6-trimethylphenyl)phosphane?
The IUPAC name of iodo-(2,4,6-trimethylphenyl)phosphane (CID 135232521) is iodo-(2,4,6-trimethylphenyl)phosphane.
What is the SMILES notation for iodo-(2,4,6-trimethylphenyl)phosphane?
The canonical SMILES for iodo-(2,4,6-trimethylphenyl)phosphane is Cc1cc(C)c(PI)c(C)c1.
What is the InChIKey of iodo-(2,4,6-trimethylphenyl)phosphane?
The InChIKey is RYTUZVSPAYTIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IP/c1-6-4-7(2)9(11-10)8(3)5-6/h4-5,11H,1-3H3.
What are the key properties of iodo-(2,4,6-trimethylphenyl)phosphane?
iodo-(2,4,6-trimethylphenyl)phosphane has a molecular weight of 278.07 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-(2,4,6-trimethylphenyl)phosphane is sourced from PubChem (CID 135232521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).