4-Methoxy-5-nonylbenzene-1,3-diol
PubChem CID: 11277128
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| Compound Synonyms | CHEMBL463107 |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 220.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methoxy-5-nonylbenzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 5.8 |
| Molecular Formula | C16H26O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ISOKUFVRYFVVQF-UHFFFAOYSA-N |
| Fcsp3 | 0.625 |
| Logs | -3.488 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.291 |
| Compound Name | 4-Methoxy-5-nonylbenzene-1,3-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 266.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.188 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 266.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.766346410526315 |
| Inchi | InChI=1S/C16H26O3/c1-3-4-5-6-7-8-9-10-13-11-14(17)12-15(18)16(13)19-2/h11-12,17-18H,3-10H2,1-2H3 |
| Smiles | CCCCCCCCCC1=C(C(=CC(=C1)O)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aegiceras Corniculatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Glaucium Corniculatum (Plant) Rel Props:Reference: