propane-1,2,3-triol;tetrahydrochloride

C3H12Cl4O3 — CID 163704230

IUPACpropane-1,2,3-triol;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.OCC(O)CO
InChIInChI=1S/C3H8O3.4ClH/c4-1-3(6)2-5;;;;/h3-6H,1-2H2;4*1H
InChIKeyKDQFPWRQHJYWPP-UHFFFAOYSA-N
MW237.94 g/mol
LogP0.02
Rot. Bonds2

About propane-1,2,3-triol;tetrahydrochloride

propane-1,2,3-triol;tetrahydrochloride (PubChem CID 163704230) has the molecular formula C3H12Cl4O3 and a molecular weight of 237.94 g/mol. Its IUPAC name is propane-1,2,3-triol;tetrahydrochloride.

Molecular Properties

Compound Namepropane-1,2,3-triol;tetrahydrochloride
PubChem CID163704230
Molecular FormulaC3H12Cl4O3
Molecular Weight237.94 g/mol
Exact Mass235.95
IUPAC Namepropane-1,2,3-triol;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.OCC(O)CO
InChIInChI=1S/C3H8O3.4ClH/c4-1-3(6)2-5;;;;/h3-6H,1-2H2;4*1H
InChIKeyKDQFPWRQHJYWPP-UHFFFAOYSA-N
XLogP0.02
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.94
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze propane-1,2,3-triol;tetrahydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(propane-1,2,3-triol);pentahydrochloride
CID 173419242
CID 160843248
CID 160843248
gold;propane-1,2,3-triol
CID 87239797
propane-1,2,3-triol;propan-2-ol;hydrochloride
CID 174488065
potassium;propane-1,2,3-triol;bromide
CID 160591555
potassium;hydride;propane-1,2,3-triol
CID 173019679
CID 172765682
CID 172765682
magnesium;propane-1,2,3-triol;dihydroxide
CID 159793120
bis(propane-1,2,3-triol);titanium;hydrate
CID 10422057
iron(2+);oxygen(2-);propane-1,2,3-triol
CID 157365497
molybdenum;propane-1,2,3-triol;hydrate
CID 172843449
methanethiol;propane-1,2,3-triol
CID 19920877

Frequently Asked Questions

What is the IUPAC name of propane-1,2,3-triol;tetrahydrochloride?
The IUPAC name of propane-1,2,3-triol;tetrahydrochloride (CID 163704230) is propane-1,2,3-triol;tetrahydrochloride.
What is the SMILES notation for propane-1,2,3-triol;tetrahydrochloride?
The canonical SMILES for propane-1,2,3-triol;tetrahydrochloride is Cl.Cl.Cl.Cl.OCC(O)CO.
What is the InChIKey of propane-1,2,3-triol;tetrahydrochloride?
The InChIKey is KDQFPWRQHJYWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3.4ClH/c4-1-3(6)2-5;;;;/h3-6H,1-2H2;4*1H.
What are the key properties of propane-1,2,3-triol;tetrahydrochloride?
propane-1,2,3-triol;tetrahydrochloride has a molecular weight of 237.94 g/mol, XLogP of 0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2,3-triol;tetrahydrochloride is sourced from PubChem (CID 163704230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).