1-[2-Hydroxy-4-(hydroxymethyl)phenyl]ethanone
PubChem CID: 56663527
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1-[2-hydroxy-4-(hydroxymethyl)phenyl]ethanone, 22518-00-9, CHEBI:67435, 1-(2-Hydroxy-4-(hydroxymethyl)phenyl)ethanone, 1-[2-hydroxy-4-(hydroxymethyl)phenyl]ethan-1-one, CHEMBL1795999, SCHEMBL11938337, AKOS040762898, Q27135900 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 167.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 1-[2-hydroxy-4-(hydroxymethyl)phenyl]ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C9H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CEKCNQSWPNISHG-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -2.014 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.211 |
| Compound Name | 1-[2-Hydroxy-4-(hydroxymethyl)phenyl]ethanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 166.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 166.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6878911999999997 |
| Inchi | InChI=1S/C9H10O3/c1-6(11)8-3-2-7(5-10)4-9(8)12/h2-4,10,12H,5H2,1H3 |
| Smiles | CC(=O)C1=C(C=C(C=C1)CO)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eupatorium Cannabinum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all