4-Hydroxyphenylacetone
PubChem CID: 7019274
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| Compound Synonyms | 4-Hydroxyphenylacetone, 770-39-8, 1-(4-hydroxyphenyl)propan-2-one, 1-(4-hydroxyphenyl)acetone, p-hydroxyphenylacetone, 2-Propanone, 1-(4-hydroxyphenyl)-, 1-(4-Hydroxyphenyl)-2-propanone, 4-Acetonylphenol, MFCD00210439, 4-Hydroxybenzyl methyl ketone, 7K79N2OO7F, CHEMBL1090553, 1-(p-Hydroxyphenyl)-2-propanone, DTXSID40427095, 4-hydroxyphenyl acetone, 4-hydroxyphenylpropanone, (4-hydroxyphenyl)acetone, SCHEMBL4455, 4-hydroxyphenylpropan-2-one, UNII-7K79N2OO7F, 4-hydroxyphenyl propan-2-one, 4-hydroxyphenyl-propan-2-one, (4-hydroxyphenyl)propan-2-one, DTXCID80377929, VWMVAQHMFFZQGD-UHFFFAOYSA-N, 1-(4-hydroxyphenyl)-propan-2-one, 1-(4-hydroxy-phenyl)-propan-2-one, BDBM50315101, AKOS005257889, AC-5623, FH67251, FS-4052, DB-056172, H1249, NS00126163, EN300-65035, D91021, Q15634197, 616-432-3 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 134.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10275 |
| Iupac Name | 1-(4-hydroxyphenyl)propan-2-one |
| Prediction Hob | 1.0 |
| Target Id | NPT153 |
| Xlogp | 0.8 |
| Molecular Formula | C9H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VWMVAQHMFFZQGD-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -0.619 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.42 |
| Compound Name | 4-Hydroxyphenylacetone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 150.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5215337636363635 |
| Inchi | InChI=1S/C9H10O2/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,11H,6H2,1H3 |
| Smiles | CC(=O)CC1=CC=C(C=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Scutellaria Barbata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all