3,4-Diethylphenol

Details

• Internal ID: a8b331a4-df09-49a8-9dae-5795fec25898
• Taxonomy: Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids
• IUPAC Name: 3,4-diethylphenol
• InChI: InChI=1S/C10H14O/c1-3-8-5-6-10(11)7-9(8)4-2/h5-7,11H,3-4H2,1-2H3
• InChI Key: SEAZSNZFNABEMJ-UHFFFAOYSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₄O
• Molecular Weight: 150.22 g/mol
• Exact Mass: 150.104465066 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 3.20

Synonyms

• 875-85-4
• Phenol, 3,4-diethyl-
• SCHEMBL1724358
• DTXSID30236370
• SEAZSNZFNABEMJ-UHFFFAOYSA-N
• MB23941

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
CHEMBL2581	P07339	Cathepsin D	94.28%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.23%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.06%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	87.57%	94.73%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.29%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.76%	95.56%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	82.34%	93.10%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.75%	90.71%
CHEMBL4208	P20618	Proteasome component C5	80.91%	90.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.57%	99.17%

Plants that contains it

• Mosla chinensis

Cross-Links

• PubChem: 522880
• LOTUS: LTS0055272
• wikiData: Q83118316