4-Ethylresorcinol
PubChem CID: 17927
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| Compound Synonyms | 4-ETHYLRESORCINOL, 2896-60-8, 4-ethylbenzene-1,3-diol, 1,3-Benzenediol, 4-ethyl-, 6-Ethylresorcinol, Resorcinol, 4-ethyl-, 1,3-Dihydroxy-4-ethylbenzene, 2,4-Dihydroxy-1-ethylbenzene, 4-ETHYL RESORCINOL, MFCD00002283, 4-Ethyl-1,3-benzenediol, UNII-8YE81T06D5, 8YE81T06D5, EINECS 220-777-1, NSC 62013, NSC-62013, 4-ethyl-benzene-1,3-diol, CHEMBL2332776, DTXSID5062689, 4-Ethyl-resorcinol, 2,4-Dihydroxyethylbenzene, 4-Ethylresorcinol, 98%, SCHEMBL40375, 4-Ethyl-1,3-benzenediol #, Resorcinol, 4-ethyl-(8CI), DTXCID2037897, CHEBI:229015, NSC62013, BDBM50187502, AKOS000121510, CS-W016498, FE37029, HY-W015782, AS-12565, PD158326, SY049095, DB-047495, D0579, NS00028587, EN300-21483, A10868, Q15726090, Z104499414, 220-777-1 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 103.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P14679, O42713 |
| Iupac Name | 4-ethylbenzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C8H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VGMJYYDKPUPTID-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -0.482 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.924 |
| Compound Name | 4-Ethylresorcinol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 138.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 138.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8810291999999997 |
| Inchi | InChI=1S/C8H10O2/c1-2-6-3-4-7(9)5-8(6)10/h3-5,9-10H,2H2,1H3 |
| Smiles | CCC1=C(C=C(C=C1)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Dipsacus Asperoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all