Diiodohydroxypropane
PubChem CID: 68295
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1,3-Diiodopropan-2-ol, 534-08-7, Diiodohydroxypropane, 1,3-Diiodo-2-propanol, Iopropane, Iothion, Jothion, Iotone, Agojodo, Dijodan, Diiodhydrin, 2-Propanol, 1,3-diiodo-, 1,3-Diiodoisopropyl alcohol, 1,3-Diiod-2-propanol, EINECS 208-586-1, BRN 1732080, AI3-61824, UNII-1Z11279H67, 1,3-Diiod-2-propanol [IUPAC], IOTHION [MI], DTXSID8074992, 3-01-00-01476 (Beilstein Handbook Reference), DIIODO-2-PROPANOL, 1,3-, 1Z11279H67, 1,3-Diiod-2-propanol (IUPAC), C3H6I2O, Glycerol-alpha,gamma-diiodohydrin, diiodopropanol, 1,3-diiodo-2-hydroxypropane, SCHEMBL2279164, CHEMBL3707258, DTXCID6041420, CHEBI:135970, DNKPFCQEGBJJTE-UHFFFAOYSA-N, DB13383, DB-115987, NS00032752, GLYCEROL-.ALPHA.,.GAMMA.-DIIODOHYDRIN, Q1811187 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 28.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-diiodopropan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C3H6I2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | DNKPFCQEGBJJTE-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.465 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.883 |
| Compound Name | Diiodohydroxypropane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 311.851 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 311.851 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 311.89 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7883055999999997 |
| Inchi | InChI=1S/C3H6I2O/c4-1-3(6)2-5/h3,6H,1-2H2 |
| Smiles | C(C(CI)O)I |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ainsliaea Dissecta (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Platycarphella Carlinoides (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Pulicaria Dysenterica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Uncaria Quadrangularis (Plant) Rel Props:Source_db:cmaup_ingredients