4-[[4-(Hydroxymethyl)phenoxy]methyl]phenol
PubChem CID: 5318319
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| Compound Synonyms | AKOS017341557 |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 204.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[[4-(hydroxymethyl)phenoxy]methyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C14H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HCAYDPXMXLXVCV-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -2.654 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.376 |
| Compound Name | 4-[[4-(Hydroxymethyl)phenoxy]methyl]phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 230.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 230.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 230.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8804835411764707 |
| Inchi | InChI=1S/C14H14O3/c15-9-11-3-7-14(8-4-11)17-10-12-1-5-13(16)6-2-12/h1-8,15-16H,9-10H2 |
| Smiles | C1=CC(=CC=C1CO)OCC2=CC=C(C=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dactylorhiza Viridis (Plant) Rel Props:Source_db:cmaup_ingredients