(2-formylphenyl)-methyl-diphenylphosphanium chloride

C20H18ClOP — CID 87141385

IUPAC(2-formylphenyl)-methyl-diphenylphosphanium chloride
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1C=O.[Cl-]
InChIInChI=1S/C20H18OP.ClH/c1-22(18-11-4-2-5-12-18,19-13-6-3-7-14-19)20-15-9-8-10-17(20)16-21;/h2-16H,1H3;1H/q+1;/p-1
InChIKeyAOEFTVUIFTUZLL-UHFFFAOYSA-M
MW340.79 g/mol
LogP0.43
Rot. Bonds4

About (2-formylphenyl)-methyl-diphenylphosphanium chloride

(2-formylphenyl)-methyl-diphenylphosphanium chloride (PubChem CID 87141385) has the molecular formula C20H18ClOP and a molecular weight of 340.79 g/mol. Its IUPAC name is (2-formylphenyl)-methyl-diphenylphosphanium chloride.

Molecular Properties

Compound Name(2-formylphenyl)-methyl-diphenylphosphanium chloride
PubChem CID87141385
Molecular FormulaC20H18ClOP
Molecular Weight340.79 g/mol
Exact Mass340.08
IUPAC Name(2-formylphenyl)-methyl-diphenylphosphanium chloride
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1C=O.[Cl-]
InChIInChI=1S/C20H18OP.ClH/c1-22(18-11-4-2-5-12-18,19-13-6-3-7-14-19)20-15-9-8-10-17(20)16-21;/h2-16H,1H3;1H/q+1;/p-1
InChIKeyAOEFTVUIFTUZLL-UHFFFAOYSA-M
XLogP0.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-formylphenyl)-methyl-diphenylphosphanium chloride?
The IUPAC name of (2-formylphenyl)-methyl-diphenylphosphanium chloride (CID 87141385) is (2-formylphenyl)-methyl-diphenylphosphanium chloride.
What is the SMILES notation for (2-formylphenyl)-methyl-diphenylphosphanium chloride?
The canonical SMILES for (2-formylphenyl)-methyl-diphenylphosphanium chloride is C[P+](c1ccccc1)(c1ccccc1)c1ccccc1C=O.[Cl-].
What is the InChIKey of (2-formylphenyl)-methyl-diphenylphosphanium chloride?
The InChIKey is AOEFTVUIFTUZLL-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H18OP.ClH/c1-22(18-11-4-2-5-12-18,19-13-6-3-7-14-19)20-15-9-8-10-17(20)16-21;/h2-16H,1H3;1H/q+1;/p-1.
What are the key properties of (2-formylphenyl)-methyl-diphenylphosphanium chloride?
(2-formylphenyl)-methyl-diphenylphosphanium chloride has a molecular weight of 340.79 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formylphenyl)-methyl-diphenylphosphanium chloride is sourced from PubChem (CID 87141385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).