Ethyl 9-(2,5-dihydroxyphenyl)nonanoate
PubChem CID: 91544169
Connections displayed (default: 10).
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| Topological Polar Surface Area | 66.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 280.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl 9-(2,5-dihydroxyphenyl)nonanoate |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C17H26O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HFWXFODSEPKDFR-UHFFFAOYSA-N |
| Fcsp3 | 0.5882352941176471 |
| Logs | -6.482 |
| Rotatable Bond Count | 11.0 |
| Logd | 4.819 |
| Compound Name | Ethyl 9-(2,5-dihydroxyphenyl)nonanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 294.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 294.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1305527714285715 |
| Inchi | InChI=1S/C17H26O4/c1-2-21-17(20)10-8-6-4-3-5-7-9-14-13-15(18)11-12-16(14)19/h11-13,18-19H,2-10H2,1H3 |
| Smiles | CCOC(=O)CCCCCCCCC1=C(C=CC(=C1)O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arnebia Euchroma (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eucalyptus Coccifera (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Rhizomnium Magnifolium (Plant) Rel Props:Source_db:cmaup_ingredients