2-carboxyethyl(triphenyl)phosphanium chloride

C21H20ClO2P — CID 10270534

IUPAC2-carboxyethyl(triphenyl)phosphanium chloride
SMILESO=C(O)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
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
InChIKeyGALLWJZTZYJVSL-UHFFFAOYSA-N
MW370.82 g/mol
LogP0.46
Rot. Bonds6

About 2-carboxyethyl(triphenyl)phosphanium chloride

2-carboxyethyl(triphenyl)phosphanium chloride (PubChem CID 10270534) has the molecular formula C21H20ClO2P and a molecular weight of 370.82 g/mol. Its IUPAC name is 2-carboxyethyl(triphenyl)phosphanium chloride.

Molecular Properties

Compound Name2-carboxyethyl(triphenyl)phosphanium chloride
PubChem CID10270534
Molecular FormulaC21H20ClO2P
Molecular Weight370.82 g/mol
Exact Mass370.09
IUPAC Name2-carboxyethyl(triphenyl)phosphanium chloride
SMILESO=C(O)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
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
InChIKeyGALLWJZTZYJVSL-UHFFFAOYSA-N
XLogP0.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 50.46
H-Bond Donors ≤ 51
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-carboxyethyl(triphenyl)phosphanium chloride?
The IUPAC name of 2-carboxyethyl(triphenyl)phosphanium chloride (CID 10270534) is 2-carboxyethyl(triphenyl)phosphanium chloride.
What is the SMILES notation for 2-carboxyethyl(triphenyl)phosphanium chloride?
The canonical SMILES for 2-carboxyethyl(triphenyl)phosphanium chloride is O=C(O)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of 2-carboxyethyl(triphenyl)phosphanium chloride?
The InChIKey is GALLWJZTZYJVSL-UHFFFAOYSA-N. 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.
What are the key properties of 2-carboxyethyl(triphenyl)phosphanium chloride?
2-carboxyethyl(triphenyl)phosphanium chloride has a molecular weight of 370.82 g/mol, XLogP of 0.46, 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 chloride is sourced from PubChem (CID 10270534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).