propan-2-ol;dihydrate;trihydrochloride

C3H15Cl3O3 — CID 172856873

IUPACpropan-2-ol;dihydrate;trihydrochloride
SMILESCC(C)O.Cl.Cl.Cl.O.O
InChIInChI=1S/C3H8O.3ClH.2H2O/c1-3(2)4;;;;;/h3-4H,1-2H3;3*1H;2*1H2
InChIKeyYVBIUCHLMORGRO-UHFFFAOYSA-N
MW205.51 g/mol
LogP0.00
Rot. Bonds

About propan-2-ol;dihydrate;trihydrochloride

propan-2-ol;dihydrate;trihydrochloride (PubChem CID 172856873) has the molecular formula C3H15Cl3O3 and a molecular weight of 205.51 g/mol. Its IUPAC name is propan-2-ol;dihydrate;trihydrochloride.

Molecular Properties

Compound Namepropan-2-ol;dihydrate;trihydrochloride
PubChem CID172856873
Molecular FormulaC3H15Cl3O3
Molecular Weight205.51 g/mol
Exact Mass204.01
IUPAC Namepropan-2-ol;dihydrate;trihydrochloride
SMILESCC(C)O.Cl.Cl.Cl.O.O
InChIInChI=1S/C3H8O.3ClH.2H2O/c1-3(2)4;;;;;/h3-4H,1-2H3;3*1H;2*1H2
InChIKeyYVBIUCHLMORGRO-UHFFFAOYSA-N
XLogP0.00
TPSA83.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.51
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propan-2-ol;dihydrate;trihydrochloride?
The IUPAC name of propan-2-ol;dihydrate;trihydrochloride (CID 172856873) is propan-2-ol;dihydrate;trihydrochloride.
What is the SMILES notation for propan-2-ol;dihydrate;trihydrochloride?
The canonical SMILES for propan-2-ol;dihydrate;trihydrochloride is CC(C)O.Cl.Cl.Cl.O.O.
What is the InChIKey of propan-2-ol;dihydrate;trihydrochloride?
The InChIKey is YVBIUCHLMORGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.3ClH.2H2O/c1-3(2)4;;;;;/h3-4H,1-2H3;3*1H;2*1H2.
What are the key properties of propan-2-ol;dihydrate;trihydrochloride?
propan-2-ol;dihydrate;trihydrochloride has a molecular weight of 205.51 g/mol, XLogP of 0.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ol;dihydrate;trihydrochloride is sourced from PubChem (CID 172856873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).