methyl(triphenoxy)phosphanium iodide

C19H18IO3P — CID 2735090

IUPACmethyl(triphenoxy)phosphanium iodide
SMILESC[P+](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.[I-]
InChIInChI=1S/C19H18O3P.HI/c1-23(20-17-11-5-2-6-12-17,21-18-13-7-3-8-14-18)22-19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1
InChIKeyVKTOBGBZBCELGC-UHFFFAOYSA-M
MW452.23 g/mol
LogP2.62
Rot. Bonds6

About methyl(triphenoxy)phosphanium iodide

methyl(triphenoxy)phosphanium iodide (PubChem CID 2735090) has the molecular formula C19H18IO3P and a molecular weight of 452.23 g/mol. Its IUPAC name is methyl(triphenoxy)phosphanium iodide.

Molecular Properties

Compound Namemethyl(triphenoxy)phosphanium iodide
PubChem CID2735090
Molecular FormulaC19H18IO3P
Molecular Weight452.23 g/mol
Exact Mass452.00
IUPAC Namemethyl(triphenoxy)phosphanium iodide
SMILESC[P+](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.[I-]
InChIInChI=1S/C19H18O3P.HI/c1-23(20-17-11-5-2-6-12-17,21-18-13-7-3-8-14-18)22-19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1
InChIKeyVKTOBGBZBCELGC-UHFFFAOYSA-M
XLogP2.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.23
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl(triphenoxy)phosphanium iodide?
The IUPAC name of methyl(triphenoxy)phosphanium iodide (CID 2735090) is methyl(triphenoxy)phosphanium iodide.
What is the SMILES notation for methyl(triphenoxy)phosphanium iodide?
The canonical SMILES for methyl(triphenoxy)phosphanium iodide is C[P+](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.[I-].
What is the InChIKey of methyl(triphenoxy)phosphanium iodide?
The InChIKey is VKTOBGBZBCELGC-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H18O3P.HI/c1-23(20-17-11-5-2-6-12-17,21-18-13-7-3-8-14-18)22-19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1.
What are the key properties of methyl(triphenoxy)phosphanium iodide?
methyl(triphenoxy)phosphanium iodide has a molecular weight of 452.23 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(triphenoxy)phosphanium iodide is sourced from PubChem (CID 2735090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).