propane-1,2-diol

C6H16O4 — CID 23506506

IUPACpropane-1,2-diol
SMILESCC(O)CO.CC(O)CO
InChIInChI=1S/2C3H8O2/c2*1-3(5)2-4/h2*3-5H,2H2,1H3
InChIKeyOJTDGPLHRSZIAV-UHFFFAOYSA-N
MW152.19 g/mol
LogP-1.28
Rot. Bonds2

About propane-1,2-diol

propane-1,2-diol (PubChem CID 23506506) has the molecular formula C6H16O4 and a molecular weight of 152.19 g/mol. Its IUPAC name is propane-1,2-diol.

Molecular Properties

Compound Namepropane-1,2-diol
PubChem CID23506506
Molecular FormulaC6H16O4
Molecular Weight152.19 g/mol
Exact Mass152.10
IUPAC Namepropane-1,2-diol
SMILESCC(O)CO.CC(O)CO
InChIInChI=1S/2C3H8O2/c2*1-3(5)2-4/h2*3-5H,2H2,1H3
InChIKeyOJTDGPLHRSZIAV-UHFFFAOYSA-N
XLogP-1.28
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

CID 160650971
CID 160650971
propane-1,2-diol;silver
CID 158521790
CID 158929584
CID 158929584
methanol;propane-1,2-diol;hydrochloride
CID 88632623
propane-1,2-diol;trihydrochloride;dihydrofluoride
CID 174772875
methoxymethane;propane-1,2-diol
CID 23435252
propane-1,2-diol;1,1,2,2-tetrafluoroethene
CID 174777178
chloroform;propane-1,2-diol
CID 159626759
ethane-1,2-diol;methane;propane-1,2-diol
CID 157128213
nitroxyl;propane-1,2-diol
CID 175455323
CID 87205903
CID 87205903
ethane-1,2-diamine;tetrakis(propane-1,2-diol)
CID 19100522

Frequently Asked Questions

What is the IUPAC name of propane-1,2-diol?
The IUPAC name of propane-1,2-diol (CID 23506506) is propane-1,2-diol.
What is the SMILES notation for propane-1,2-diol?
The canonical SMILES for propane-1,2-diol is CC(O)CO.CC(O)CO.
What is the InChIKey of propane-1,2-diol?
The InChIKey is OJTDGPLHRSZIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H8O2/c2*1-3(5)2-4/h2*3-5H,2H2,1H3.
What are the key properties of propane-1,2-diol?
propane-1,2-diol has a molecular weight of 152.19 g/mol, XLogP of -1.28, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2-diol is sourced from PubChem (CID 23506506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).