4-(4'-Hydroxybenzyloxy)benzyl methyl ether
PubChem CID: 5318157
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| Compound Synonyms | 4-(4'-Hydroxybenzyloxy)benzyl methyl ether |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 216.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[[4-(methoxymethyl)phenoxy]methyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C15H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JMZZLVBQLUTYJA-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -2.716 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.793 |
| Compound Name | 4-(4'-Hydroxybenzyloxy)benzyl methyl ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 244.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.206331333333333 |
| Inchi | InChI=1S/C15H16O3/c1-17-10-12-4-8-15(9-5-12)18-11-13-2-6-14(16)7-3-13/h2-9,16H,10-11H2,1H3 |
| Smiles | COCC1=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