Rhododendrol, (+/-)-
PubChem CID: 97790
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| Compound Synonyms | 4-(3-Hydroxybutyl)phenol, 69617-84-1, Rhododendrol, rac-Rhododendrol, 4-(p-Hydroxyphenyl)butan-2-ol, Frambinol, Rhododenol, 4-(p-Hydroxyphenyl)-2-butanol, (+/-)-Rhododendrol, Raspberry alcohol, Rhododendrol, (+/-)-, Benzenepropanol, 4-hydroxy-.alpha.-methyl-, 4-(4-Hydroxyphenyl)-2-butanol, EINECS 274-056-1, MFCD01117650, NSC 40514, NSC-40514, Benzenepropanol, 4-hydroxy-alpha-methyl-, AI3-31843, 12QWN45UL0, CHEBI:81278, DTXSID20867834, RASPBERRY ALCOHOL [USP-RS], 4-Hydroxy-alpha-methyl-benzenepropanol, RASPBERRY ALCOHOL [USP IMPURITY], RASPBERRY ALCOHOL (USP-RS), RASPBERRY ALCOHOL (USP IMPURITY), UNII-12QWN45UL0, (+/-)-4-(4-Hydroxyphenyl)-2-butanol, MLS001048912, SCHEMBL105870, CHEMBL108014, DTXCID30220496, SFUCGABQOMYVJW-UHFFFAOYSA-N, HMS2619L14, (R)-(-)-Rhododendrol, (R)-Frambinol, Betuligenol, Betuligenol, (-)-, Rhododendrol, Rhododendrol, (-)-, NSC40514, STK015339, AKOS000126144, AKOS017269824, FR27656, Rhododendrol, >=95% (LC/MS-ELSD), NCGC00246242-01, AS-59817, SMR000037104, DS-001251, CS-0134402, NS00061621, R0121, EN300-31143, C17690, T72839, Q27155219, Z57921369, (+/-)-Rhododendrol, 4-Hydroxy-a-methyl-benzenepropanol, Frambinol, RACTOPAMINE HYDROCHLORIDE SUSPENSION IMPURITY, RASPBERRY ALCOHOL- [USP IMPURITY] |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 117.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00811, P03070, P83916, Q77YF9 |
| Iupac Name | 4-(3-hydroxybutyl)phenol |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C10H14O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SFUCGABQOMYVJW-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -0.971 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.298 |
| Compound Name | Rhododendrol, (+/-)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 166.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 166.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2584640000000005 |
| Inchi | InChI=1S/C10H14O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-8,11-12H,2-3H2,1H3 |
| Smiles | CC(CCC1=CC=C(C=C1)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhododendron Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Rhododendron Mucronatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all