2-(2-Hydroxy-5-propylphenyl)-4-propylphenol
PubChem CID: 5321851
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Tetrahydromagnolol, 20601-85-8, 2-(2-hydroxy-5-propylphenyl)-4-propylphenol, [1,1'-Biphenyl]-2,2'-diol, 5,5'-dipropyl-, tetrahydro-magnolol, CHEMBL32362, 5,5'-Dipropyl-[1,1'-biphenyl]-2,2'-diol, MLO, SCHEMBL662610, DTXSID30415784, OYAQUBKYAKSHOA-UHFFFAOYSA-N, BDBM50428092, AKOS030533113, 2,2'-dihydroxy-5,5'-dipropyl-biphenyl, DA-78352, MS-23831, 1ST159429, HY-116637, CS-0066137, NS00018026, D09209, G15989, 2-(2-hydroxy-5-propyl-phenyl)-4-propyl-phenol |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 251.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q12791, Q9Y2T6, P34972, P21554 |
| Iupac Name | 2-(2-hydroxy-5-propylphenyl)-4-propylphenol |
| Prediction Hob | 1.0 |
| Target Id | NPT232, NPT1287 |
| Xlogp | 5.5 |
| Molecular Formula | C18H22O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OYAQUBKYAKSHOA-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -6.167 |
| Rotatable Bond Count | 5.0 |
| Logd | 5.998 |
| Compound Name | 2-(2-Hydroxy-5-propylphenyl)-4-propylphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 270.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.101606399999999 |
| Inchi | InChI=1S/C18H22O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h7-12,19-20H,3-6H2,1-2H3 |
| Smiles | CCCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CCC)O |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Magnolia Biloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Magnolia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all