(2-formylphenyl)-methyl-diphenylphosphanium

C20H18OP+ — CID 86738614

IUPAC(2-formylphenyl)-methyl-diphenylphosphanium
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1C=O
InChIInChI=1S/C20H18OP/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/q+1
InChIKeySRVVERFJSVWRAM-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.42
Rot. Bonds4

About (2-formylphenyl)-methyl-diphenylphosphanium

(2-formylphenyl)-methyl-diphenylphosphanium (PubChem CID 86738614) has the molecular formula C20H18OP+ and a molecular weight of 305.34 g/mol. Its IUPAC name is (2-formylphenyl)-methyl-diphenylphosphanium.

Molecular Properties

Compound Name(2-formylphenyl)-methyl-diphenylphosphanium
PubChem CID86738614
Molecular FormulaC20H18OP+
Molecular Weight305.34 g/mol
Exact Mass305.11
IUPAC Name(2-formylphenyl)-methyl-diphenylphosphanium
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1C=O
InChIInChI=1S/C20H18OP/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/q+1
InChIKeySRVVERFJSVWRAM-UHFFFAOYSA-N
XLogP3.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.42
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?
The IUPAC name of (2-formylphenyl)-methyl-diphenylphosphanium (CID 86738614) is (2-formylphenyl)-methyl-diphenylphosphanium.
What is the SMILES notation for (2-formylphenyl)-methyl-diphenylphosphanium?
The canonical SMILES for (2-formylphenyl)-methyl-diphenylphosphanium is C[P+](c1ccccc1)(c1ccccc1)c1ccccc1C=O.
What is the InChIKey of (2-formylphenyl)-methyl-diphenylphosphanium?
The InChIKey is SRVVERFJSVWRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18OP/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/q+1.
What are the key properties of (2-formylphenyl)-methyl-diphenylphosphanium?
(2-formylphenyl)-methyl-diphenylphosphanium has a molecular weight of 305.34 g/mol, XLogP of 3.42, 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 is sourced from PubChem (CID 86738614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).