2-carboxyethyl(triphenyl)phosphanium;hydrochloride

C21H21ClO2P+ — CID 87824769

IUPAC2-carboxyethyl(triphenyl)phosphanium;hydrochloride
SMILESCl.O=C(O)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19O2P.ClH/c22-21(23)16-17-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17H2;1H/p+1
InChIKeyGALLWJZTZYJVSL-UHFFFAOYSA-O
MW371.82 g/mol
LogP3.88
Rot. Bonds6

About 2-carboxyethyl(triphenyl)phosphanium;hydrochloride

2-carboxyethyl(triphenyl)phosphanium;hydrochloride (PubChem CID 87824769) has the molecular formula C21H21ClO2P+ and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-carboxyethyl(triphenyl)phosphanium;hydrochloride.

Molecular Properties

Compound Name2-carboxyethyl(triphenyl)phosphanium;hydrochloride
PubChem CID87824769
Molecular FormulaC21H21ClO2P+
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name2-carboxyethyl(triphenyl)phosphanium;hydrochloride
SMILESCl.O=C(O)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19O2P.ClH/c22-21(23)16-17-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17H2;1H/p+1
InChIKeyGALLWJZTZYJVSL-UHFFFAOYSA-O
XLogP3.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-carboxyethyl(triphenyl)phosphanium;molecular bromine;bromide
CID 102601236
2-carboxyethyl-(4-methylphenyl)-diphenylphosphanium
CID 134958855
9-carboxynonyl(triphenyl)phosphanium iodide
CID 126698035
3-triphenylphosphaniumylpropanoate;hydrobromide
CID 131665697
bromomethane;6-carboxyhexyl(triphenyl)phosphanium
CID 177012688
2-[2-(2-carboxyethoxy)ethoxy]ethyl-triphenylphosphanium
CID 135362746
(2-carboxy-2-deuterioethyl)-triphenylphosphanium
CID 139243686
(3-methoxy-3-oxopropyl)-triphenylphosphanium
CID 6332300
2-(2-amino-4-carboxybutanoyl)oxyethyl-triphenylphosphanium
CID 138521982
(3-amino-3-oxopropyl)-triphenylphosphanium acetate
CID 139243684
bis(oxygen(2-));3-triphenylphosphaniumylpropanoate;uranium;dinitrate
CID 139068755
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696

Frequently Asked Questions

What is the IUPAC name of 2-carboxyethyl(triphenyl)phosphanium;hydrochloride?
The IUPAC name of 2-carboxyethyl(triphenyl)phosphanium;hydrochloride (CID 87824769) is 2-carboxyethyl(triphenyl)phosphanium;hydrochloride.
What is the SMILES notation for 2-carboxyethyl(triphenyl)phosphanium;hydrochloride?
The canonical SMILES for 2-carboxyethyl(triphenyl)phosphanium;hydrochloride is Cl.O=C(O)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-carboxyethyl(triphenyl)phosphanium;hydrochloride?
The InChIKey is GALLWJZTZYJVSL-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H19O2P.ClH/c22-21(23)16-17-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17H2;1H/p+1.
What are the key properties of 2-carboxyethyl(triphenyl)phosphanium;hydrochloride?
2-carboxyethyl(triphenyl)phosphanium;hydrochloride has a molecular weight of 371.82 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyethyl(triphenyl)phosphanium;hydrochloride is sourced from PubChem (CID 87824769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).