Phenol, 4-[[4-(ethoxymethyl)phenoxy]methyl]-
PubChem CID: 5317234
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| Compound Synonyms | Phenol, 4-[[4-(ethoxymethyl)phenoxy]methyl]-, 77160-41-9, DTXSID80415719, 4-ethoxymethylphenyl 4-hydroxybenzyl ether |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 228.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[[4-(ethoxymethyl)phenoxy]methyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C16H18O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WJSPJKHTVCZJHC-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.184 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.089 |
| Compound Name | Phenol, 4-[[4-(ethoxymethyl)phenoxy]methyl]- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 258.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4344338210526315 |
| Inchi | InChI=1S/C16H18O3/c1-2-18-11-13-5-9-16(10-6-13)19-12-14-3-7-15(17)8-4-14/h3-10,17H,2,11-12H2,1H3 |
| Smiles | CCOCC1=CC=C(C=C1)OCC2=CC=C(C=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gastrodia Elata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Juniperus Rigida (Plant) Rel Props:Source_db:cmaup_ingredients