(3-chloro-2-hydroxypropoxy)-oxo-propan-2-ylphosphanium

C6H13ClO3P+ — CID 14904540

IUPAC(3-chloro-2-hydroxypropoxy)-oxo-propan-2-ylphosphanium
SMILESCC(C)[P+](=O)OCC(O)CCl
InChIInChI=1S/C6H13ClO3P/c1-5(2)11(9)10-4-6(8)3-7/h5-6,8H,3-4H2,1-2H3/q+1
InChIKeyWUYTZFGBPQVILG-UHFFFAOYSA-N
MW199.59 g/mol
LogP1.75
Rot. Bonds5

About (3-chloro-2-hydroxypropoxy)-oxo-propan-2-ylphosphanium

(3-chloro-2-hydroxypropoxy)-oxo-propan-2-ylphosphanium (PubChem CID 14904540) has the molecular formula C6H13ClO3P+ and a molecular weight of 199.59 g/mol. Its IUPAC name is (3-chloro-2-hydroxypropoxy)-oxo-propan-2-ylphosphanium.

Molecular Properties

Compound Name(3-chloro-2-hydroxypropoxy)-oxo-propan-2-ylphosphanium
PubChem CID14904540
Molecular FormulaC6H13ClO3P+
Molecular Weight199.59 g/mol
Exact Mass199.03
IUPAC Name(3-chloro-2-hydroxypropoxy)-oxo-propan-2-ylphosphanium
SMILESCC(C)[P+](=O)OCC(O)CCl
InChIInChI=1S/C6H13ClO3P/c1-5(2)11(9)10-4-6(8)3-7/h5-6,8H,3-4H2,1-2H3/q+1
InChIKeyWUYTZFGBPQVILG-UHFFFAOYSA-N
XLogP1.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.59
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-(3-methylbutan-2-yloxy)propan-2-ol
CID 112560865
(2S)-1-aminooxy-3-chloropropan-2-ol
CID 129235257
bis(3-chloro-2-hydroxypropyl) methyl phosphate
CID 167583670
(3-chloro-2-hydroxypropyl) nitrate
CID 10931674
1,2-Propanediol, 3-chloro-, 1-(hydrogen sulfate), sodium salt (1:1)
CID 170846619
1-chloro-3-(2-methoxyethoxy)propan-2-ol
CID 4581090
1-chloro-3-methoxyphosphanyloxypropan-2-ol
CID 88908247
(2S)-1-chloro-4-methylpentan-2-ol
CID 641049
1-chloro-3-(1-chloro-3-methoxypropan-2-yl)oxypropan-2-ol
CID 71441962
(2S)-1-butoxy-3-chloropropan-2-ol
CID 36688277
1-chloro-3-(8-methylnonoxy)propan-2-ol
CID 141326416
sodium;(3-chloro-2-hydroxypropyl) sulfite;hydride
CID 174353627

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-hydroxypropoxy)-oxo-propan-2-ylphosphanium?
The IUPAC name of (3-chloro-2-hydroxypropoxy)-oxo-propan-2-ylphosphanium (CID 14904540) is (3-chloro-2-hydroxypropoxy)-oxo-propan-2-ylphosphanium.
What is the SMILES notation for (3-chloro-2-hydroxypropoxy)-oxo-propan-2-ylphosphanium?
The canonical SMILES for (3-chloro-2-hydroxypropoxy)-oxo-propan-2-ylphosphanium is CC(C)[P+](=O)OCC(O)CCl.
What is the InChIKey of (3-chloro-2-hydroxypropoxy)-oxo-propan-2-ylphosphanium?
The InChIKey is WUYTZFGBPQVILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClO3P/c1-5(2)11(9)10-4-6(8)3-7/h5-6,8H,3-4H2,1-2H3/q+1.
What are the key properties of (3-chloro-2-hydroxypropoxy)-oxo-propan-2-ylphosphanium?
(3-chloro-2-hydroxypropoxy)-oxo-propan-2-ylphosphanium has a molecular weight of 199.59 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-hydroxypropoxy)-oxo-propan-2-ylphosphanium is sourced from PubChem (CID 14904540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).