2-n-Hexyl-5-n-propylresorcinol
PubChem CID: 197183
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| Compound Synonyms | 2-n-hexyl-5-n-propylresorcinol, 39341-78-1, DB-2073, 2-hexyl-5-propylbenzene-1,3-diol, Antibiotic DB 2073, 1,3-Benzenediol, 2-hexyl-5-propyl-, 2-Hexyl-5-propyl-1,3-benzenediol, E3BW82CH2T, DB 2073, Resorcinol, 2-hexyl-5-propyl-, BRN 1964593, UNII-E3BW82CH2T, 2-hexyl-5-propyl resorcinol, 2-hexyl-5-propyl-resorcinol, CHEMBL496837, SCHEMBL5881393, DTXSID10192566, CHEBI:168034, LMPK15030002, Q5204376 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 181.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hexyl-5-propylbenzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 5.5 |
| Molecular Formula | C15H24O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VERGPVBZPMTZDY-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -3.684 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.461 |
| Compound Name | 2-n-Hexyl-5-n-propylresorcinol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 236.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 236.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.575877470588234 |
| Inchi | InChI=1S/C15H24O2/c1-3-5-6-7-9-13-14(16)10-12(8-4-2)11-15(13)17/h10-11,16-17H,3-9H2,1-2H3 |
| Smiles | CCCCCCC1=C(C=C(C=C1O)CCC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asarum Heterotropoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Centaurea Aspera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Hyptis Brevipes (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Nerium Oleander (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Pteris Fauriei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all