p-Hydroxybenzalacetone
PubChem CID: 796857
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| Compound Synonyms | 3160-35-8, 4-hydroxybenzylideneacetone, p-Hydroxybenzalacetone, 4-(4-Hydroxyphenyl)but-3-en-2-one, 4-Hydroxybenzalacetone, 4-Hydroxybenzal acetone, 22214-30-8, 4-Hydroxycinnamoylmethane, (E)-4-(4-hydroxyphenyl)but-3-en-2-one, p-Hydroxybenzylidene acetone, 4-(p-Hydroxyphenyl)-3-buten-2-one, p-hydroxyphenylbut-3-ene-2-one, 4-Hydroxystyryl methyl ketone, 3-Buten-2-one, 4-(p-hydroxyphenyl)-, NSC 26516, 1-(4-Hydroxybenzylidene)acetone, 3-Buten-2-one, 4-(4-hydroxyphenyl)-, (3E)-4-(4-hydroxyphenyl)but-3-en-2-one, (~{E})-4-(4-hydroxyphenyl)but-3-en-2-one, 3-Buten-2-one,4-(4-hydroxyphenyl)-, (3E)-, 4-(4-Hydroxyphenyl)-3-buten-2-one, MFCD00016490, 4-(p-Hydroxyphenyl)-3-buten-2-one, (4-Hydroxybenzylidene)acetone, EINECS 221-607-9, (E)-4-(4-Hydroxyphenyl)-3-buten-2-one, AI3-30539, AI3-35956, 3-Buten-2-one, 4-(4-hydroxyphenyl)-, (E)-, 4-Hydroxybenzylidene acetone, CHEMBL9184, SCHEMBL807859, p-hydroxyphenylbut-3ene-2-one, Methyl P-Hydroxycinnamyl Ketone, CHEBI:68636, DTXSID201287493, CS-B1377, NSC26516, NSC-26516, STL506899, AKOS005207153, 3-Buten-2-one, 4-(4-hydroxyphenyl), AS-61561, 4-(4'-hydroxyphenyl)-(e)-3-buten-2-one, CS-0356795, 3-Buten-2-one,4-(4-hydroxyphenyl)-,(3E)-, EN300-1858559, Q27137063, 8MK |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 176.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | (E)-4-(4-hydroxyphenyl)but-3-en-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C10H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OCNIKEFATSKIBE-NSCUHMNNSA-N |
| Fcsp3 | 0.1 |
| Logs | -1.4 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.557 |
| Compound Name | p-Hydroxybenzalacetone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 162.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 162.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.2553656 |
| Inchi | InChI=1S/C10H10O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h2-7,12H,1H3/b3-2+ |
| Smiles | CC(=O)/C=C/C1=CC=C(C=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Blepharocalyx (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all