2-carboxyethoxymethyl(triphenyl)phosphanium

C22H22O3P+ — CID 20558069

IUPAC2-carboxyethoxymethyl(triphenyl)phosphanium
SMILESO=C(O)CCOC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21O3P/c23-22(24)16-17-25-18-26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15H,16-18H2/p+1
InChIKeyQXLKYJVCCPECEI-UHFFFAOYSA-O
MW365.39 g/mol
LogP3.43
Rot. Bonds8

About 2-carboxyethoxymethyl(triphenyl)phosphanium

2-carboxyethoxymethyl(triphenyl)phosphanium (PubChem CID 20558069) has the molecular formula C22H22O3P+ and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-carboxyethoxymethyl(triphenyl)phosphanium.

Molecular Properties

Compound Name2-carboxyethoxymethyl(triphenyl)phosphanium
PubChem CID20558069
Molecular FormulaC22H22O3P+
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Name2-carboxyethoxymethyl(triphenyl)phosphanium
SMILESO=C(O)CCOC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21O3P/c23-22(24)16-17-25-18-26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15H,16-18H2/p+1
InChIKeyQXLKYJVCCPECEI-UHFFFAOYSA-O
XLogP3.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-carboxyethoxy)ethoxy]ethyl-triphenylphosphanium
CID 135362746
[(2S)-2-amino-4-carboxybutanoyl]oxymethyl-triphenylphosphanium
CID 138521747
2-carboxyethyl(triphenyl)phosphanium;hydrochloride
CID 87824769
(2-amino-4-carboxybutanoyl)oxymethyl-triphenylphosphanium bromide
CID 138521750
tris(carboxymethyl(triphenyl)phosphanium);ruthenium
CID 154640778
2-carboxyethyl(triphenyl)phosphanium;molecular bromine;bromide
CID 102601236
2-(2-amino-4-carboxybutanoyl)oxyethyl-triphenylphosphanium
CID 138521982
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
9-carboxynonyl(triphenyl)phosphanium iodide
CID 126698035
3-(2-methylpropoxy)propanoic acid
CID 15033462
triphenyl(phenylmethoxymethyl)phosphanium bromide
CID 87779262

Frequently Asked Questions

What is the IUPAC name of 2-carboxyethoxymethyl(triphenyl)phosphanium?
The IUPAC name of 2-carboxyethoxymethyl(triphenyl)phosphanium (CID 20558069) is 2-carboxyethoxymethyl(triphenyl)phosphanium.
What is the SMILES notation for 2-carboxyethoxymethyl(triphenyl)phosphanium?
The canonical SMILES for 2-carboxyethoxymethyl(triphenyl)phosphanium is O=C(O)CCOC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-carboxyethoxymethyl(triphenyl)phosphanium?
The InChIKey is QXLKYJVCCPECEI-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H21O3P/c23-22(24)16-17-25-18-26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15H,16-18H2/p+1.
What are the key properties of 2-carboxyethoxymethyl(triphenyl)phosphanium?
2-carboxyethoxymethyl(triphenyl)phosphanium has a molecular weight of 365.39 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyethoxymethyl(triphenyl)phosphanium is sourced from PubChem (CID 20558069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).