(2-chloro-2-oxoethyl)-trihydroxyphosphanium

C2H5ClO4P+ — CID 174608065

IUPAC(2-chloro-2-oxoethyl)-trihydroxyphosphanium
SMILESO=C(Cl)C[P+](O)(O)O
InChIInChI=1S/C2H5ClO4P/c3-2(4)1-8(5,6)7/h5-7H,1H2/q+1
InChIKeyDEGOAHBFOHSTRC-UHFFFAOYSA-N
MW159.48 g/mol
LogP-0.51
Rot. Bonds2

About (2-chloro-2-oxoethyl)-trihydroxyphosphanium

(2-chloro-2-oxoethyl)-trihydroxyphosphanium (PubChem CID 174608065) has the molecular formula C2H5ClO4P+ and a molecular weight of 159.48 g/mol. Its IUPAC name is (2-chloro-2-oxoethyl)-trihydroxyphosphanium.

Molecular Properties

Compound Name(2-chloro-2-oxoethyl)-trihydroxyphosphanium
PubChem CID174608065
Molecular FormulaC2H5ClO4P+
Molecular Weight159.48 g/mol
Exact Mass158.96
IUPAC Name(2-chloro-2-oxoethyl)-trihydroxyphosphanium
SMILESO=C(Cl)C[P+](O)(O)O
InChIInChI=1S/C2H5ClO4P/c3-2(4)1-8(5,6)7/h5-7H,1H2/q+1
InChIKeyDEGOAHBFOHSTRC-UHFFFAOYSA-N
XLogP-0.51
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.48
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-2-oxoethyl)butanedioic acid
CID 19364489
(3-amino-2-oxopropyl)-trihydroxyphosphanium
CID 57252262
(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanoyl chloride
CID 87444916
[(2R)-4-chloro-2-hydroxy-4-oxobutyl]-trimethylazanium
CID 102394239
4-chloro-4-hydroxy-3-oxobutanoyl chloride
CID 56615490
2-silylacetyl chloride
CID 123343525
2-chloroacetyl chloride;silane
CID 174549758
CID 54492639
CID 54492639
2-iodoacetyl chloride
CID 3084680
2-(18F)fluoroacetyl chloride
CID 24764366
3-methylsulfanylbutanoyl chloride
CID 13041005
5-methyl-3-(2-methylpropyl)hexanoyl chloride
CID 119094600

Frequently Asked Questions

What is the IUPAC name of (2-chloro-2-oxoethyl)-trihydroxyphosphanium?
The IUPAC name of (2-chloro-2-oxoethyl)-trihydroxyphosphanium (CID 174608065) is (2-chloro-2-oxoethyl)-trihydroxyphosphanium.
What is the SMILES notation for (2-chloro-2-oxoethyl)-trihydroxyphosphanium?
The canonical SMILES for (2-chloro-2-oxoethyl)-trihydroxyphosphanium is O=C(Cl)C[P+](O)(O)O.
What is the InChIKey of (2-chloro-2-oxoethyl)-trihydroxyphosphanium?
The InChIKey is DEGOAHBFOHSTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5ClO4P/c3-2(4)1-8(5,6)7/h5-7H,1H2/q+1.
What are the key properties of (2-chloro-2-oxoethyl)-trihydroxyphosphanium?
(2-chloro-2-oxoethyl)-trihydroxyphosphanium has a molecular weight of 159.48 g/mol, XLogP of -0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-2-oxoethyl)-trihydroxyphosphanium is sourced from PubChem (CID 174608065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).