2-(Butoxymethyl)-1,3-dihydroxyanthracene-9,10-dione
PubChem CID: 71349161
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-(Butoxymethyl)-1,3-dihydroxyanthracene-9,10-dione, 184916-39-0, CHEMBL3930478, DTXSID20775026, 2-(butoxymethyl)-1,3-dihydroxy-anthracene-9,10-dione |
|---|---|
| Topological Polar Surface Area | 83.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 476.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(butoxymethyl)-1,3-dihydroxyanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C19H18O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FRNAIFVSQNPEJB-UHFFFAOYSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -3.875 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.475 |
| Compound Name | 2-(Butoxymethyl)-1,3-dihydroxyanthracene-9,10-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 326.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 326.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1776576 |
| Inchi | InChI=1S/C19H18O5/c1-2-3-8-24-10-14-15(20)9-13-16(19(14)23)18(22)12-7-5-4-6-11(12)17(13)21/h4-7,9,20,23H,2-3,8,10H2,1H3 |
| Smiles | CCCCOCC1=C(C=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhamnus Nakaharai (Plant) Rel Props:Source_db:cmaup_ingredients