1,3-Propanediol
Internal ID | 0573f98d-30b8-4f33-8ac0-a876bac5f54b |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Primary alcohols |
IUPAC Name | propane-1,3-diol |
SMILES (Canonical) | C(CO)CO |
SMILES (Isomeric) | C(CO)CO |
InChI | InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2 |
InChI Key | YPFDHNVEDLHUCE-UHFFFAOYSA-N |
Popularity | 3,974 references in papers |
Molecular Formula | C3H8O2 |
Molecular Weight | 76.09 g/mol |
Exact Mass | 76.052429494 g/mol |
Topological Polar Surface Area (TPSA) | 40.50 Ų |
XlogP | -1.00 |
Propane-1,3-diol |
504-63-2 |
Trimethylene glycol |
1,3-Dihydroxypropane |
1,3-Propylene glycol |
2-Deoxyglycerol |
1,3-Propylenediol |
2-(Hydroxymethyl)ethanol |
1,3-PROPANDIOL |
beta-Propylene glycol |
There are more than 10 synonyms. If you wish to see them all click here. |

Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
No proven targets yet! |
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL2885 | P07451 | Carbonic anhydrase III | 84.89% | 87.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.82% | 96.09% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
Hypericum japonicum |