1-(2-Hydroxyphenyl)pentan-1-one
PubChem CID: 241635
Connections displayed (default: 10).
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| Compound Synonyms | 1-(2-hydroxyphenyl)pentan-1-one, 18430-91-6, 2'-HYDROXYVALEROPHENONE, DTXSID00939821, NSC49322, SCHEMBL5341547, 1-(2-hydroxyphenyl)-1-pentanone, DTXCID801368310, NSC-49322, AKOS006285698, SS-4963 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 165.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2-hydroxyphenyl)pentan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C11H14O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UJFVHMXWJOMCKU-UHFFFAOYSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -3.202 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.232 |
| Compound Name | 1-(2-Hydroxyphenyl)pentan-1-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 178.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 178.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 178.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1897706615384607 |
| Inchi | InChI=1S/C11H14O2/c1-2-3-7-10(12)9-6-4-5-8-11(9)13/h4-6,8,13H,2-3,7H2,1H3 |
| Smiles | CCCCC(=O)C1=CC=CC=C1O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients