2-Hexyl-5-heptylresorcinol
PubChem CID: 129673055
Connections displayed (default: 10).
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| Compound Synonyms | 2-hexyl-5-heptylresorcinol, 2-hexyl-5-n-heptylresorcinol, CHEMBL4641914, SCHEMBL26218683, CHEBI:195468 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 230.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-heptyl-2-hexylbenzene-1,3-diol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 7.7 |
| Is Pains | False |
| Molecular Formula | C19H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KLAVUSHQLJDZCS-UHFFFAOYSA-N |
| Fcsp3 | 0.6842105263157895 |
| Rotatable Bond Count | 11.0 |
| Compound Name | 2-Hexyl-5-heptylresorcinol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 292.24 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 292.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 292.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.977099171428571 |
| Inchi | InChI=1S/C19H32O2/c1-3-5-7-9-10-12-16-14-18(20)17(19(21)15-16)13-11-8-6-4-2/h14-15,20-21H,3-13H2,1-2H3 |
| Smiles | CCCCCCCC1=CC(=C(C(=C1)O)CCCCCC)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaia Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Backhousia Citriodora (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Capraria Biflora (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Centipeda Minima (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Mentha Timija (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Senecio Macrocephalus (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Upuna Borneensis (Plant) Rel Props:Source_db:cmaup_ingredients