bis(hydroxymethyl)-methyl-phenylphosphanium iodide

C9H14IO2P — CID 3070049

IUPACbis(hydroxymethyl)-methyl-phenylphosphanium iodide
SMILESC[P+](CO)(CO)c1ccccc1.[I-]
InChIInChI=1S/C9H14O2P.HI/c1-12(7-10,8-11)9-5-3-2-4-6-9;/h2-6,10-11H,7-8H2,1H3;1H/q+1;/p-1
InChIKeyPUTFJPHLFIZLJP-UHFFFAOYSA-M
MW312.09 g/mol
LogP-2.14
Rot. Bonds3

About bis(hydroxymethyl)-methyl-phenylphosphanium iodide

bis(hydroxymethyl)-methyl-phenylphosphanium iodide (PubChem CID 3070049) has the molecular formula C9H14IO2P and a molecular weight of 312.09 g/mol. Its IUPAC name is bis(hydroxymethyl)-methyl-phenylphosphanium iodide.

Molecular Properties

Compound Namebis(hydroxymethyl)-methyl-phenylphosphanium iodide
PubChem CID3070049
Molecular FormulaC9H14IO2P
Molecular Weight312.09 g/mol
Exact Mass311.98
IUPAC Namebis(hydroxymethyl)-methyl-phenylphosphanium iodide
SMILESC[P+](CO)(CO)c1ccccc1.[I-]
InChIInChI=1S/C9H14O2P.HI/c1-12(7-10,8-11)9-5-3-2-4-6-9;/h2-6,10-11H,7-8H2,1H3;1H/q+1;/p-1
InChIKeyPUTFJPHLFIZLJP-UHFFFAOYSA-M
XLogP-2.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.09
LogP ≤ 5-2.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 bis(hydroxymethyl)-methyl-phenylphosphanium iodide?
The IUPAC name of bis(hydroxymethyl)-methyl-phenylphosphanium iodide (CID 3070049) is bis(hydroxymethyl)-methyl-phenylphosphanium iodide.
What is the SMILES notation for bis(hydroxymethyl)-methyl-phenylphosphanium iodide?
The canonical SMILES for bis(hydroxymethyl)-methyl-phenylphosphanium iodide is C[P+](CO)(CO)c1ccccc1.[I-].
What is the InChIKey of bis(hydroxymethyl)-methyl-phenylphosphanium iodide?
The InChIKey is PUTFJPHLFIZLJP-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H14O2P.HI/c1-12(7-10,8-11)9-5-3-2-4-6-9;/h2-6,10-11H,7-8H2,1H3;1H/q+1;/p-1.
What are the key properties of bis(hydroxymethyl)-methyl-phenylphosphanium iodide?
bis(hydroxymethyl)-methyl-phenylphosphanium iodide has a molecular weight of 312.09 g/mol, XLogP of -2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hydroxymethyl)-methyl-phenylphosphanium iodide is sourced from PubChem (CID 3070049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).