bis(hydroxymethyl)-diphenylphosphanium chloride

C14H16ClO2P — CID 2784100

IUPACbis(hydroxymethyl)-diphenylphosphanium chloride
SMILESOC[P+](CO)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C14H16O2P.ClH/c15-11-17(12-16,13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-10,15-16H,11-12H2;1H/q+1;/p-1
InChIKeyOQBWLGSTUDYSJM-UHFFFAOYSA-M
MW282.71 g/mol
LogP-1.44
Rot. Bonds4

About bis(hydroxymethyl)-diphenylphosphanium chloride

bis(hydroxymethyl)-diphenylphosphanium chloride (PubChem CID 2784100) has the molecular formula C14H16ClO2P and a molecular weight of 282.71 g/mol. Its IUPAC name is bis(hydroxymethyl)-diphenylphosphanium chloride.

Molecular Properties

Compound Namebis(hydroxymethyl)-diphenylphosphanium chloride
PubChem CID2784100
Molecular FormulaC14H16ClO2P
Molecular Weight282.71 g/mol
Exact Mass282.06
IUPAC Namebis(hydroxymethyl)-diphenylphosphanium chloride
SMILESOC[P+](CO)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C14H16O2P.ClH/c15-11-17(12-16,13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-10,15-16H,11-12H2;1H/q+1;/p-1
InChIKeyOQBWLGSTUDYSJM-UHFFFAOYSA-M
XLogP-1.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(hydroxymethyl)-diphenylphosphanium chloride?
The IUPAC name of bis(hydroxymethyl)-diphenylphosphanium chloride (CID 2784100) is bis(hydroxymethyl)-diphenylphosphanium chloride.
What is the SMILES notation for bis(hydroxymethyl)-diphenylphosphanium chloride?
The canonical SMILES for bis(hydroxymethyl)-diphenylphosphanium chloride is OC[P+](CO)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of bis(hydroxymethyl)-diphenylphosphanium chloride?
The InChIKey is OQBWLGSTUDYSJM-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H16O2P.ClH/c15-11-17(12-16,13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-10,15-16H,11-12H2;1H/q+1;/p-1.
What are the key properties of bis(hydroxymethyl)-diphenylphosphanium chloride?
bis(hydroxymethyl)-diphenylphosphanium chloride has a molecular weight of 282.71 g/mol, XLogP of -1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hydroxymethyl)-diphenylphosphanium chloride is sourced from PubChem (CID 2784100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).