propane-1,2,3-triol

C3H8O3 — CID 753

💊View drug profile → glycerol
IUPACpropane-1,2,3-triol
SMILESOCC(O)CO
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
MW92.09 g/mol
LogP-1.67
Rot. Bonds2

About propane-1,2,3-triol

propane-1,2,3-triol (PubChem CID 753) has the molecular formula C3H8O3 and a molecular weight of 92.09 g/mol. Its IUPAC name is propane-1,2,3-triol.

Molecular Properties

Compound Namepropane-1,2,3-triol
PubChem CID753
Molecular FormulaC3H8O3
Molecular Weight92.09 g/mol
Exact Mass92.05
IUPAC Namepropane-1,2,3-triol
SMILESOCC(O)CO
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
XLogP-1.67
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.09
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Propylene Glycol
CID 1030
2,3-Butanediol
CID 262
(S)-propane-1,2-diol
CID 439846
Meso-2,3-Butanediol
CID 220010
R-(-)-1,2-Propanediol
CID 259994
1,2,4-Butanetriol
CID 18302
(2R,3R)-Butanediol
CID 225936
(+)-2,3-Butanediol
CID 439888
1,2,3-Butanetriol
CID 20497
1,2,4-Butanetriol, (2S)-
CID 640997
1,2,4-Butanetriol, (2R)-
CID 6994279
1-Deoxy-L-erythritol
CID 12241264

Frequently Asked Questions

What is the IUPAC name of propane-1,2,3-triol?
The IUPAC name of propane-1,2,3-triol (CID 753) is propane-1,2,3-triol.
What is the SMILES notation for propane-1,2,3-triol?
The canonical SMILES for propane-1,2,3-triol is OCC(O)CO.
What is the InChIKey of propane-1,2,3-triol?
The InChIKey is PEDCQBHIVMGVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2.
What are the key properties of propane-1,2,3-triol?
propane-1,2,3-triol has a molecular weight of 92.09 g/mol, XLogP of -1.67, 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 is sourced from PubChem (CID 753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).