(2-hydroxyphenyl)methyl-triphenylphosphanium iodide

C25H22IOP — CID 158901182

IUPAC(2-hydroxyphenyl)methyl-triphenylphosphanium iodide
SMILESOc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C25H21OP.HI/c26-25-19-11-10-12-21(25)20-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24;/h1-19H,20H2;1H
InChIKeyJFLUFGAAHWWSLB-UHFFFAOYSA-N
MW496.33 g/mol
LogP1.89
Rot. Bonds5

About (2-hydroxyphenyl)methyl-triphenylphosphanium iodide

(2-hydroxyphenyl)methyl-triphenylphosphanium iodide (PubChem CID 158901182) has the molecular formula C25H22IOP and a molecular weight of 496.33 g/mol. Its IUPAC name is (2-hydroxyphenyl)methyl-triphenylphosphanium iodide.

Molecular Properties

Compound Name(2-hydroxyphenyl)methyl-triphenylphosphanium iodide
PubChem CID158901182
Molecular FormulaC25H22IOP
Molecular Weight496.33 g/mol
Exact Mass496.05
IUPAC Name(2-hydroxyphenyl)methyl-triphenylphosphanium iodide
SMILESOc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C25H21OP.HI/c26-25-19-11-10-12-21(25)20-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24;/h1-19H,20H2;1H
InChIKeyJFLUFGAAHWWSLB-UHFFFAOYSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2-hydroxyphenyl)methyl-triphenylphosphanium iodide?
The IUPAC name of (2-hydroxyphenyl)methyl-triphenylphosphanium iodide (CID 158901182) is (2-hydroxyphenyl)methyl-triphenylphosphanium iodide.
What is the SMILES notation for (2-hydroxyphenyl)methyl-triphenylphosphanium iodide?
The canonical SMILES for (2-hydroxyphenyl)methyl-triphenylphosphanium iodide is Oc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-].
What is the InChIKey of (2-hydroxyphenyl)methyl-triphenylphosphanium iodide?
The InChIKey is JFLUFGAAHWWSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21OP.HI/c26-25-19-11-10-12-21(25)20-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24;/h1-19H,20H2;1H.
What are the key properties of (2-hydroxyphenyl)methyl-triphenylphosphanium iodide?
(2-hydroxyphenyl)methyl-triphenylphosphanium iodide has a molecular weight of 496.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)methyl-triphenylphosphanium iodide is sourced from PubChem (CID 158901182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).