2-[4-[4-(2-Hydroxyethyl)phenyl]peroxyphenyl]ethanol
PubChem CID: 5315547
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 58.9 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 217.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[4-[4-(2-hydroxyethyl)phenyl]peroxyphenyl]ethanol |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C16H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PCKUKHGHYZTWTL-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -8.936 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.987 |
| Compound Name | 2-[4-[4-(2-Hydroxyethyl)phenyl]peroxyphenyl]ethanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 274.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 274.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3560592 |
| Inchi | InChI=1S/C16H18O4/c17-11-9-13-1-5-15(6-2-13)19-20-16-7-3-14(4-8-16)10-12-18/h1-8,17-18H,9-12H2 |
| Smiles | C1=CC(=CC=C1CCO)OOC2=CC=C(C=C2)CCO |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clerodendrum Bungei (Plant) Rel Props:Source_db:cmaup_ingredients