methanol;trihydrochloride

CH7Cl3O — CID 20533548

IUPACmethanol;trihydrochloride
SMILESCO.Cl.Cl.Cl
InChIInChI=1S/CH4O.3ClH/c1-2;;;/h2H,1H3;3*1H
InChIKeyCSSQVVSIMKUCGN-UHFFFAOYSA-N
MW141.43 g/mol
LogP0.87
Rot. Bonds

About methanol;trihydrochloride

methanol;trihydrochloride (PubChem CID 20533548) has the molecular formula CH7Cl3O and a molecular weight of 141.43 g/mol. Its IUPAC name is methanol;trihydrochloride.

Molecular Properties

Compound Namemethanol;trihydrochloride
PubChem CID20533548
Molecular FormulaCH7Cl3O
Molecular Weight141.43 g/mol
Exact Mass139.96
IUPAC Namemethanol;trihydrochloride
SMILESCO.Cl.Cl.Cl
InChIInChI=1S/CH4O.3ClH/c1-2;;;/h2H,1H3;3*1H
InChIKeyCSSQVVSIMKUCGN-UHFFFAOYSA-N
XLogP0.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.43
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methanol;trihydrochloride?
The IUPAC name of methanol;trihydrochloride (CID 20533548) is methanol;trihydrochloride.
What is the SMILES notation for methanol;trihydrochloride?
The canonical SMILES for methanol;trihydrochloride is CO.Cl.Cl.Cl.
What is the InChIKey of methanol;trihydrochloride?
The InChIKey is CSSQVVSIMKUCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O.3ClH/c1-2;;;/h2H,1H3;3*1H.
What are the key properties of methanol;trihydrochloride?
methanol;trihydrochloride has a molecular weight of 141.43 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;trihydrochloride is sourced from PubChem (CID 20533548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).