methanol;propane-1,2-diol;hydrochloride

C4H13ClO3 — CID 88632623

IUPACmethanol;propane-1,2-diol;hydrochloride
SMILESCC(O)CO.CO.Cl
InChIInChI=1S/C3H8O2.CH4O.ClH/c1-3(5)2-4;1-2;/h3-5H,2H2,1H3;2H,1H3;1H
InChIKeyQYCQEIZSYDNDHD-UHFFFAOYSA-N
MW144.60 g/mol
LogP-0.61
Rot. Bonds1

About methanol;propane-1,2-diol;hydrochloride

methanol;propane-1,2-diol;hydrochloride (PubChem CID 88632623) has the molecular formula C4H13ClO3 and a molecular weight of 144.60 g/mol. Its IUPAC name is methanol;propane-1,2-diol;hydrochloride.

Molecular Properties

Compound Namemethanol;propane-1,2-diol;hydrochloride
PubChem CID88632623
Molecular FormulaC4H13ClO3
Molecular Weight144.60 g/mol
Exact Mass144.06
IUPAC Namemethanol;propane-1,2-diol;hydrochloride
SMILESCC(O)CO.CO.Cl
InChIInChI=1S/C3H8O2.CH4O.ClH/c1-3(5)2-4;1-2;/h3-5H,2H2,1H3;2H,1H3;1H
InChIKeyQYCQEIZSYDNDHD-UHFFFAOYSA-N
XLogP-0.61
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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propane-1,2-diol
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propane-1,2-diol;silver
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chloroform;propane-1,2-diol
CID 159626759
methoxymethane;propane-1,2-diol
CID 23435252
propane-1,2-diol;1,1,2,2-tetrafluoroethene
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ethane-1,2-diol;methane;propane-1,2-diol
CID 157128213
nitroxyl;propane-1,2-diol
CID 175455323
CID 87205903
CID 87205903
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CID 70700046

Frequently Asked Questions

What is the IUPAC name of methanol;propane-1,2-diol;hydrochloride?
The IUPAC name of methanol;propane-1,2-diol;hydrochloride (CID 88632623) is methanol;propane-1,2-diol;hydrochloride.
What is the SMILES notation for methanol;propane-1,2-diol;hydrochloride?
The canonical SMILES for methanol;propane-1,2-diol;hydrochloride is CC(O)CO.CO.Cl.
What is the InChIKey of methanol;propane-1,2-diol;hydrochloride?
The InChIKey is QYCQEIZSYDNDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.CH4O.ClH/c1-3(5)2-4;1-2;/h3-5H,2H2,1H3;2H,1H3;1H.
What are the key properties of methanol;propane-1,2-diol;hydrochloride?
methanol;propane-1,2-diol;hydrochloride has a molecular weight of 144.60 g/mol, XLogP of -0.61, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;propane-1,2-diol;hydrochloride is sourced from PubChem (CID 88632623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).