2-carboxypropyl-oxo-phenoxyphosphanium

C10H12O4P+ — CID 57039771

IUPAC2-carboxypropyl-oxo-phenoxyphosphanium
SMILESCC(C[P+](=O)Oc1ccccc1)C(=O)O
InChIInChI=1S/C10H11O4P/c1-8(10(11)12)7-15(13)14-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/p+1
InChIKeyMCVBZGJPTGAFDC-UHFFFAOYSA-O
MW227.18 g/mol
LogP2.53
Rot. Bonds5

About 2-carboxypropyl-oxo-phenoxyphosphanium

2-carboxypropyl-oxo-phenoxyphosphanium (PubChem CID 57039771) has the molecular formula C10H12O4P+ and a molecular weight of 227.18 g/mol. Its IUPAC name is 2-carboxypropyl-oxo-phenoxyphosphanium.

Molecular Properties

Compound Name2-carboxypropyl-oxo-phenoxyphosphanium
PubChem CID57039771
Molecular FormulaC10H12O4P+
Molecular Weight227.18 g/mol
Exact Mass227.05
IUPAC Name2-carboxypropyl-oxo-phenoxyphosphanium
SMILESCC(C[P+](=O)Oc1ccccc1)C(=O)O
InChIInChI=1S/C10H11O4P/c1-8(10(11)12)7-15(13)14-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/p+1
InChIKeyMCVBZGJPTGAFDC-UHFFFAOYSA-O
XLogP2.53
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-methyl-3-phenoxypropanoic acid
CID 11367349
2-carboxyethyl-oxo-phenoxyphosphanium;zinc
CID 174937996
cerium;ethyl-oxo-phenoxyphosphanium
CID 174771782
chloromethyl-oxo-phenoxyphosphanium
CID 174746789
4-chloro-2-methyl-4-phenoxybutanoic acid
CID 70522058
2-aminoethyl-oxo-phenoxyphosphanium
CID 90917693
diphenyl 2-methylbutanedioate
CID 19419895
hexyl-oxo-phenoxyphosphanium
CID 67135564
(2-hydroxy-3-methylcycloprop-2-en-1-yl)oxymethyl-oxo-phenoxyphosphanium
CID 163797832
2-methyl-4-(phenoxycarbonylamino)butanoic acid
CID 80540498
3-(2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537701
2-iodoethyl 2-phenoxypropanoate
CID 21411128

Frequently Asked Questions

What is the IUPAC name of 2-carboxypropyl-oxo-phenoxyphosphanium?
The IUPAC name of 2-carboxypropyl-oxo-phenoxyphosphanium (CID 57039771) is 2-carboxypropyl-oxo-phenoxyphosphanium.
What is the SMILES notation for 2-carboxypropyl-oxo-phenoxyphosphanium?
The canonical SMILES for 2-carboxypropyl-oxo-phenoxyphosphanium is CC(C[P+](=O)Oc1ccccc1)C(=O)O.
What is the InChIKey of 2-carboxypropyl-oxo-phenoxyphosphanium?
The InChIKey is MCVBZGJPTGAFDC-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H11O4P/c1-8(10(11)12)7-15(13)14-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/p+1.
What are the key properties of 2-carboxypropyl-oxo-phenoxyphosphanium?
2-carboxypropyl-oxo-phenoxyphosphanium has a molecular weight of 227.18 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxypropyl-oxo-phenoxyphosphanium is sourced from PubChem (CID 57039771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).