2-carboxyethyl-oxo-phenoxyphosphanium;zinc

C9H10O4PZn+ — CID 174937996

IUPAC2-carboxyethyl-oxo-phenoxyphosphanium;zinc
SMILESO=C(O)CC[P+](=O)Oc1ccccc1.[Zn]
InChIInChI=1S/C9H9O4P.Zn/c10-9(11)6-7-14(12)13-8-4-2-1-3-5-8;/h1-5H,6-7H2;/p+1
InChIKeyVKGAQVOATVOHBU-UHFFFAOYSA-O
MW278.54 g/mol
LogP2.28
Rot. Bonds5

About 2-carboxyethyl-oxo-phenoxyphosphanium;zinc

2-carboxyethyl-oxo-phenoxyphosphanium;zinc (PubChem CID 174937996) has the molecular formula C9H10O4PZn+ and a molecular weight of 278.54 g/mol. Its IUPAC name is 2-carboxyethyl-oxo-phenoxyphosphanium;zinc.

Molecular Properties

Compound Name2-carboxyethyl-oxo-phenoxyphosphanium;zinc
PubChem CID174937996
Molecular FormulaC9H10O4PZn+
Molecular Weight278.54 g/mol
Exact Mass276.96
IUPAC Name2-carboxyethyl-oxo-phenoxyphosphanium;zinc
SMILESO=C(O)CC[P+](=O)Oc1ccccc1.[Zn]
InChIInChI=1S/C9H9O4P.Zn/c10-9(11)6-7-14(12)13-8-4-2-1-3-5-8;/h1-5H,6-7H2;/p+1
InChIKeyVKGAQVOATVOHBU-UHFFFAOYSA-O
XLogP2.28
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.54
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-aminoethyl-oxo-phenoxyphosphanium
CID 90917693
2-carboxypropyl-oxo-phenoxyphosphanium
CID 57039771
oxo-pentyl-phenoxyphosphanium
CID 67135329
chloromethyl-oxo-phenoxyphosphanium
CID 174746789
hexyl-oxo-phenoxyphosphanium
CID 67135564
cerium;ethyl-oxo-phenoxyphosphanium
CID 174771782
oxo-phenoxy-phosphanylphosphanium
CID 154139481
cobalt;oxo(diphenoxy)phosphanium
CID 162036820
copper;oxo(diphenoxy)phosphanium
CID 158842365
manganese;3-phenoxypropanoic acid;zirconium
CID 175105332
9-phenoxynonanoic acid
CID 15887638
(2-hydroxy-3-methylcycloprop-2-en-1-yl)oxymethyl-oxo-phenoxyphosphanium
CID 163797832

Frequently Asked Questions

What is the IUPAC name of 2-carboxyethyl-oxo-phenoxyphosphanium;zinc?
The IUPAC name of 2-carboxyethyl-oxo-phenoxyphosphanium;zinc (CID 174937996) is 2-carboxyethyl-oxo-phenoxyphosphanium;zinc.
What is the SMILES notation for 2-carboxyethyl-oxo-phenoxyphosphanium;zinc?
The canonical SMILES for 2-carboxyethyl-oxo-phenoxyphosphanium;zinc is O=C(O)CC[P+](=O)Oc1ccccc1.[Zn].
What is the InChIKey of 2-carboxyethyl-oxo-phenoxyphosphanium;zinc?
The InChIKey is VKGAQVOATVOHBU-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H9O4P.Zn/c10-9(11)6-7-14(12)13-8-4-2-1-3-5-8;/h1-5H,6-7H2;/p+1.
What are the key properties of 2-carboxyethyl-oxo-phenoxyphosphanium;zinc?
2-carboxyethyl-oxo-phenoxyphosphanium;zinc has a molecular weight of 278.54 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyethyl-oxo-phenoxyphosphanium;zinc is sourced from PubChem (CID 174937996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).