2-(4-Hydroxyphenyl)ethyl acetate

Details

• Internal ID: 4decdc0e-0491-4e4f-ba0b-335be8bf9b8e
• Taxonomy: Benzenoids > Phenols > Tyrosols and derivatives
• IUPAC Name: 2-(4-hydroxyphenyl)ethyl acetate
• SMILES (Canonical): CC(=O)OCCC1=CC=C(C=C1)O
• SMILES (Isomeric): CC(=O)OCCC1=CC=C(C=C1)O
• InChI: InChI=1S/C10H12O3/c1-8(11)13-7-6-9-2-4-10(12)5-3-9/h2-5,12H,6-7H2,1H3
• InChI Key: LDLOCPJLLDCCGO-UHFFFAOYSA-N
• Popularity: 461 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₂O₃
• Molecular Weight: 180.20 g/mol
• Exact Mass: 180.078644241 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 1.90

Synonyms

• 58556-55-1
• 4-(2-ACETOXY-ETHYL)PHENOL
• Acetic Acid 2-(4-Hydroxyphenyl)ethyl Ester
• 4-Hydroxyphenethyl Acetate
• Tyrosol, acetate
• 2-(p-Hydroxyphenyl)ethyl Acetate
• 4-Hydroxy-benzeneethanol 1-Acetate
• SCHEMBL2387794
• CHEMBL3942157
• DTXSID50348484
• LDLOCPJLLDCCGO-UHFFFAOYSA-N
• 2-(4-Hydroxylphenyl) ethyl acetate
• AKOS006327538
• AB51485
• Benzeneethanol, 4-hydroxy-, 1-acetate
• 2-(4-Hydroxyphenyl)ethanol acetate ester
• benzeneethanol, 4-hydroxy-, alpha-acetate
• acetic acid 2-(4-hydroxyphenyl)-ethyl ester
• Benzeneethanol, 4-hydroxy-, .alpha.-acetate
• FT-0661084
• ETHANE,1-ACETOXY,2-(4-HYDROXYPHENYL)
• InChI=1/C10H12O3/c1-8(11)13-7-6-9-2-4-10(12)5-3-9/h2-5,12H,6-7H2,1H

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.46%	96.09%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	95.82%	94.62%
CHEMBL2581	P07339	Cathepsin D	94.58%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	92.01%	94.45%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.77%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.08%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.36%	86.33%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	84.34%	96.95%
CHEMBL3401	O75469	Pregnane X receptor	82.79%	94.73%
CHEMBL3437	Q16853	Amine oxidase, copper containing	82.62%	94.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	80.35%	97.25%

Plants that contains it

• Croton lechleri
• Olea europaea
• Osmanthus heterophyllus

Cross-Links

• PubChem: 637753
• LOTUS: LTS0102486
• wikiData: Q82123322