2-Hexyl-5-methylresorcinol
PubChem CID: 11535811
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| Compound Synonyms | 2-Hexyl-5-methylresorcinol, 1,3-dihydroxy-5-methyl-2-hexyl benzene, 1,3-Benzenediol, 2-hexyl-5-methyl-, 41395-27-1, 2-HEXYL-5-METHYLBENZENE-1,3-DIOL, CHEMBL496836, SCHEMBL16432085, DTXSID50468191, CHEBI:222506 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 158.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hexyl-5-methylbenzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C13H20O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XPKLONXIXRADCG-UHFFFAOYSA-N |
| Fcsp3 | 0.5384615384615384 |
| Logs | -3.081 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.919 |
| Compound Name | 2-Hexyl-5-methylresorcinol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 208.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 208.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9576661999999994 |
| Inchi | InChI=1S/C13H20O2/c1-3-4-5-6-7-11-12(14)8-10(2)9-13(11)15/h8-9,14-15H,3-7H2,1-2H3 |
| Smiles | CCCCCCC1=C(C=C(C=C1O)C)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 Pteris Fauriei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all