1,1'-Di(p-hydroxyphenyl) diethyl ether

Details

• Internal ID: ab53c452-3f34-4e9e-b392-d8c23c1095ad
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzylethers
• IUPAC Name: 4-[1-[1-(4-hydroxyphenyl)ethoxy]ethyl]phenol
• SMILES (Canonical): CC(C1=CC=C(C=C1)O)OC(C)C2=CC=C(C=C2)O
• SMILES (Isomeric): CC(C1=CC=C(C=C1)O)OC(C)C2=CC=C(C=C2)O
• InChI: InChI=1S/C16H18O3/c1-11(13-3-7-15(17)8-4-13)19-12(2)14-5-9-16(18)10-6-14/h3-12,17-18H,1-2H3
• InChI Key: ONMXDACOMYJDBM-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₈O₃
• Molecular Weight: 258.31 g/mol
• Exact Mass: 258.125594432 g/mol
• Topological Polar Surface Area (TPSA): 49.70 Ų
• XlogP: 3.20

Synonyms

• 1,1'-di(p-hydroxyphenyl) diethyl ether

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
CHEMBL242	Q92731	Estrogen receptor beta	96.62%	98.35%
CHEMBL2581	P07339	Cathepsin D	91.11%	98.95%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	90.80%	93.10%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.33%	91.11%
CHEMBL301	P24941	Cyclin-dependent kinase 2	87.22%	91.23%
CHEMBL4208	P20618	Proteasome component C5	86.55%	90.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.54%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.05%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.63%	95.56%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	80.07%	97.23%

Plants that contains it

• Oxalis pes-caprae
• Parastrephia quadrangularis

Cross-Links

• PubChem: 19795350
• LOTUS: LTS0036855
• wikiData: Q105194951