tris(2-hydroxyethyl)-(hydroxymethyl)phosphanium chloride

C7H18ClO4P — CID 19733968

IUPACtris(2-hydroxyethyl)-(hydroxymethyl)phosphanium chloride
SMILESOCC[P+](CO)(CCO)CCO.[Cl-]
InChIInChI=1S/C7H18O4P.ClH/c8-1-4-12(7-11,5-2-9)6-3-10;/h8-11H,1-7H2;1H/q+1;/p-1
InChIKeyRRPCXWQXVDBGBM-UHFFFAOYSA-M
MW232.64 g/mol
LogP-4.07
Rot. Bonds7

About tris(2-hydroxyethyl)-(hydroxymethyl)phosphanium chloride

tris(2-hydroxyethyl)-(hydroxymethyl)phosphanium chloride (PubChem CID 19733968) has the molecular formula C7H18ClO4P and a molecular weight of 232.64 g/mol. Its IUPAC name is tris(2-hydroxyethyl)-(hydroxymethyl)phosphanium chloride.

Molecular Properties

Compound Nametris(2-hydroxyethyl)-(hydroxymethyl)phosphanium chloride
PubChem CID19733968
Molecular FormulaC7H18ClO4P
Molecular Weight232.64 g/mol
Exact Mass232.06
IUPAC Nametris(2-hydroxyethyl)-(hydroxymethyl)phosphanium chloride
SMILESOCC[P+](CO)(CCO)CCO.[Cl-]
InChIInChI=1S/C7H18O4P.ClH/c8-1-4-12(7-11,5-2-9)6-3-10;/h8-11H,1-7H2;1H/q+1;/p-1
InChIKeyRRPCXWQXVDBGBM-UHFFFAOYSA-M
XLogP-4.07
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 5-4.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bromomethane;triethyl(2-hydroxyethyl)phosphanium
CID 156727237
3-[tris(hydroxymethyl)phosphaniumyl]propanoate
CID 4095799
tris(2-hydroxyethyl)-methylphosphanium
CID 14746820
ethane-1,2-diol;indium(3+);trichloride
CID 174814594
ethane-1,2-diol;lanthanum(3+);trichloride
CID 175383384
tetrakis(hydroxymethyl)phosphanium;urea;sulfate
CID 156595491
1-(1,2,3-trihydroxypropyldisulfanyl)propane-1,2,3-triol
CID 87220682
2-(hydroxymethyl)butane-1,4-diol;nitric acid
CID 87107747
sodium;2-methylpropan-1-ol;chloride
CID 172733950
1-hydroxypropan-2-olate
CID 21225559
(2S)-2-aminobutane-1,4-diol;hydrochloride
CID 91654406
heptane-1,2,3,4,5,7-hexol
CID 88922638

Frequently Asked Questions

What is the IUPAC name of tris(2-hydroxyethyl)-(hydroxymethyl)phosphanium chloride?
The IUPAC name of tris(2-hydroxyethyl)-(hydroxymethyl)phosphanium chloride (CID 19733968) is tris(2-hydroxyethyl)-(hydroxymethyl)phosphanium chloride.
What is the SMILES notation for tris(2-hydroxyethyl)-(hydroxymethyl)phosphanium chloride?
The canonical SMILES for tris(2-hydroxyethyl)-(hydroxymethyl)phosphanium chloride is OCC[P+](CO)(CCO)CCO.[Cl-].
What is the InChIKey of tris(2-hydroxyethyl)-(hydroxymethyl)phosphanium chloride?
The InChIKey is RRPCXWQXVDBGBM-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18O4P.ClH/c8-1-4-12(7-11,5-2-9)6-3-10;/h8-11H,1-7H2;1H/q+1;/p-1.
What are the key properties of tris(2-hydroxyethyl)-(hydroxymethyl)phosphanium chloride?
tris(2-hydroxyethyl)-(hydroxymethyl)phosphanium chloride has a molecular weight of 232.64 g/mol, XLogP of -4.07, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-hydroxyethyl)-(hydroxymethyl)phosphanium chloride is sourced from PubChem (CID 19733968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).