4-(2-Hydroxyethyl)-2-[4-(2-hydroxyethyl)phenoxy]phenol
PubChem CID: 86163981
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| Topological Polar Surface Area | 69.9 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 263.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(2-hydroxyethyl)-2-[4-(2-hydroxyethyl)phenoxy]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C16H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IXZOLWJHHYRLMN-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.037 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.167 |
| Compound Name | 4-(2-Hydroxyethyl)-2-[4-(2-hydroxyethyl)phenoxy]phenol |
| 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 | -2.5967591999999997 |
| Inchi | InChI=1S/C16H18O4/c17-9-7-12-1-4-14(5-2-12)20-16-11-13(8-10-18)3-6-15(16)19/h1-6,11,17-19H,7-10H2 |
| Smiles | C1=CC(=CC=C1CCO)OC2=C(C=CC(=C2)CCO)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Fraxinus Ornus (Plant) Rel Props:Source_db:cmaup_ingredients