propane-1,2,3-triol;propan-2-ol;hydrochloride

C6H17ClO4 — CID 174488065

IUPACpropane-1,2,3-triol;propan-2-ol;hydrochloride
SMILESCC(C)O.Cl.OCC(O)CO
InChIInChI=1S/C3H8O3.C3H8O.ClH/c4-1-3(6)2-5;1-3(2)4;/h3-6H,1-2H2;3-4H,1-2H3;1H
InChIKeyMGFWKHDJMAMFSF-UHFFFAOYSA-N
MW188.65 g/mol
LogP-0.86
Rot. Bonds2

About propane-1,2,3-triol;propan-2-ol;hydrochloride

propane-1,2,3-triol;propan-2-ol;hydrochloride (PubChem CID 174488065) has the molecular formula C6H17ClO4 and a molecular weight of 188.65 g/mol. Its IUPAC name is propane-1,2,3-triol;propan-2-ol;hydrochloride.

Molecular Properties

Compound Namepropane-1,2,3-triol;propan-2-ol;hydrochloride
PubChem CID174488065
Molecular FormulaC6H17ClO4
Molecular Weight188.65 g/mol
Exact Mass188.08
IUPAC Namepropane-1,2,3-triol;propan-2-ol;hydrochloride
SMILESCC(C)O.Cl.OCC(O)CO
InChIInChI=1S/C3H8O3.C3H8O.ClH/c4-1-3(6)2-5;1-3(2)4;/h3-6H,1-2H2;3-4H,1-2H3;1H
InChIKeyMGFWKHDJMAMFSF-UHFFFAOYSA-N
XLogP-0.86
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.65
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propane-1,2,3-triol;propan-2-ol;hydrochloride?
The IUPAC name of propane-1,2,3-triol;propan-2-ol;hydrochloride (CID 174488065) is propane-1,2,3-triol;propan-2-ol;hydrochloride.
What is the SMILES notation for propane-1,2,3-triol;propan-2-ol;hydrochloride?
The canonical SMILES for propane-1,2,3-triol;propan-2-ol;hydrochloride is CC(C)O.Cl.OCC(O)CO.
What is the InChIKey of propane-1,2,3-triol;propan-2-ol;hydrochloride?
The InChIKey is MGFWKHDJMAMFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3.C3H8O.ClH/c4-1-3(6)2-5;1-3(2)4;/h3-6H,1-2H2;3-4H,1-2H3;1H.
What are the key properties of propane-1,2,3-triol;propan-2-ol;hydrochloride?
propane-1,2,3-triol;propan-2-ol;hydrochloride has a molecular weight of 188.65 g/mol, XLogP of -0.86, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2,3-triol;propan-2-ol;hydrochloride is sourced from PubChem (CID 174488065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).