2-(4-Hydroxyphenyl)ethyl acetate
PubChem CID: 637753
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| Compound Synonyms | 4-(2-ACETOXY-ETHYL)PHENOL, 58556-55-1, 2-(4-hydroxyphenyl)ethyl acetate, 4-Hydroxyphenethyl Acetate, 4-(2-Acetoxyethyl)phenol, Tyrosol, acetate, 2-(p-Hydroxyphenyl)ethyl Acetate, Acetic Acid 2-(4-Hydroxyphenyl)ethyl Ester, DTXSID50348484, 2-(4-Hydroxylphenyl) ethyl acetate, Benzeneethanol, 4-hydroxy-, 1-acetate, 2-(4-Hydroxyphenyl)ethanol acetate ester, benzeneethanol, 4-hydroxy-, alpha-acetate, Benzeneethanol, 4-hydroxy-, .alpha.-acetate, ETHANE,1-ACETOXY,2-(4-HYDROXYPHENYL), 4-Hydroxy-benzeneethanol 1-Acetate, SCHEMBL2387794, CHEMBL3942157, DTXCID80299556, AKOS006327538, AB51485, FA16996, DB-315662, acetic acid 2-(4-hydroxyphenyl)-ethyl ester, 4-Hydroxy-benzeneethanol 1-acetate, Acetic acid 2-(4-hydroxyphenyl)ethyl ester, 2-(p-Hydroxyphenyl)ethyl acetate, Tyrosol acetate |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Description | P-hpea-ac belongs to tyrosols and derivatives class of compounds. Those are compounds containing a hydroxyethyl group attached to the C4 carbon of a phenol group. P-hpea-ac is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). P-hpea-ac can be found in olive, which makes P-hpea-ac a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 160.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-hydroxyphenyl)ethyl acetate |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C10H12O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LDLOCPJLLDCCGO-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -1.64 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.39 |
| Synonyms | 4-(Acetoxyethyl)-1-hydroxybenzene, Tyrosol acetate |
| Compound Name | 2-(4-Hydroxyphenyl)ethyl acetate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 180.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 180.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2569970615384616 |
| Inchi | InChI=1S/C10H12O3/c1-8(11)13-7-6-9-2-4-10(12)5-3-9/h2-5,12H,6-7H2,1H3 |
| Smiles | CC(=O)OCCC1=CC=C(C=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Olea Europaea (Plant) Rel Props:Source_db:cmaup_ingredients