[2-(ethoxymethyl)phenyl]-diphenyl-propylphosphanium

C24H28OP+ — CID 170234353

IUPAC[2-(ethoxymethyl)phenyl]-diphenyl-propylphosphanium
SMILESCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1COCC
InChIInChI=1S/C24H28OP/c1-3-19-26(22-14-7-5-8-15-22,23-16-9-6-10-17-23)24-18-12-11-13-21(24)20-25-4-2/h5-18H,3-4,19-20H2,1-2H3/q+1
InChIKeyAASYCXCIQLZTRR-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.93
Rot. Bonds8

About [2-(ethoxymethyl)phenyl]-diphenyl-propylphosphanium

[2-(ethoxymethyl)phenyl]-diphenyl-propylphosphanium (PubChem CID 170234353) has the molecular formula C24H28OP+ and a molecular weight of 363.46 g/mol. Its IUPAC name is [2-(ethoxymethyl)phenyl]-diphenyl-propylphosphanium.

Molecular Properties

Compound Name[2-(ethoxymethyl)phenyl]-diphenyl-propylphosphanium
PubChem CID170234353
Molecular FormulaC24H28OP+
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name[2-(ethoxymethyl)phenyl]-diphenyl-propylphosphanium
SMILESCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1COCC
InChIInChI=1S/C24H28OP/c1-3-19-26(22-14-7-5-8-15-22,23-16-9-6-10-17-23)24-18-12-11-13-21(24)20-25-4-2/h5-18H,3-4,19-20H2,1-2H3/q+1
InChIKeyAASYCXCIQLZTRR-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(ethoxymethyl)phenyl]-diphenyl-propylphosphanium?
The IUPAC name of [2-(ethoxymethyl)phenyl]-diphenyl-propylphosphanium (CID 170234353) is [2-(ethoxymethyl)phenyl]-diphenyl-propylphosphanium.
What is the SMILES notation for [2-(ethoxymethyl)phenyl]-diphenyl-propylphosphanium?
The canonical SMILES for [2-(ethoxymethyl)phenyl]-diphenyl-propylphosphanium is CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1COCC.
What is the InChIKey of [2-(ethoxymethyl)phenyl]-diphenyl-propylphosphanium?
The InChIKey is AASYCXCIQLZTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28OP/c1-3-19-26(22-14-7-5-8-15-22,23-16-9-6-10-17-23)24-18-12-11-13-21(24)20-25-4-2/h5-18H,3-4,19-20H2,1-2H3/q+1.
What are the key properties of [2-(ethoxymethyl)phenyl]-diphenyl-propylphosphanium?
[2-(ethoxymethyl)phenyl]-diphenyl-propylphosphanium has a molecular weight of 363.46 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxymethyl)phenyl]-diphenyl-propylphosphanium is sourced from PubChem (CID 170234353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).