Bauhinol E
PubChem CID: 16680048
Connections displayed (default: 10).
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| Compound Synonyms | BAUHINOL E, 5-(2-(2-hydroxyphenyl)ethyl)-3-methoxy-2-methylphenol, 5-[2-(2-hydroxyphenyl)ethyl]-3-methoxy-2-methylphenol, CHEMBL390766 |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 269.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[2-(2-hydroxyphenyl)ethyl]-3-methoxy-2-methylphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C16H18O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JMBBQCITZQVIQJ-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.403 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.595 |
| Compound Name | Bauhinol E |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 258.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0137338210526305 |
| Inchi | InChI=1S/C16H18O3/c1-11-15(18)9-12(10-16(11)19-2)7-8-13-5-3-4-6-14(13)17/h3-6,9-10,17-18H,7-8H2,1-2H3 |
| Smiles | CC1=C(C=C(C=C1OC)CCC2=CC=CC=C2O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alnus Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aloe Deltoideodonta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Bauhinia Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Crinum Latifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Leitneria Floridana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Notholaena Aschenborniana (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Thermopsis Mollis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all