4-Ethyl-2-methoxy-6-methylphenol

Details

• Internal ID: 950614da-2901-4e27-9a64-f12e22f3ea74
• Taxonomy: Benzenoids > Phenols > Methoxyphenols
• IUPAC Name: 4-ethyl-2-methoxy-6-methylphenol
• InChI: InChI=1S/C10H14O2/c1-4-8-5-7(2)10(11)9(6-8)12-3/h5-6,11H,4H2,1-3H3
• InChI Key: YXJGWDBCRDWHLV-UHFFFAOYSA-N
• Popularity: 7 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₄O₂
• Molecular Weight: 166.22 g/mol
• Exact Mass: 166.099379685 g/mol
• Topological Polar Surface Area (TPSA): 29.50 Ų
• XlogP: 2.70

Synonyms

• 120550-70-1
• Phenol, 4-ethyl-2-methoxy-6-methyl-
• 7FEH4UA6E9
• 4-ethyl-2-methoxy-6-methyl-phenol
• UNII-7FEH4UA6E9
• SCHEMBL12121960
• 2-methoxy-4-ethyl-6methylphenol
• 4-ETHYL-6-METHYLGUAIACOL
• DTXSID30152905
• YXJGWDBCRDWHLV-UHFFFAOYSA-N
• 4-Ethyl-6-methyl-2-methoxyphenol

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	94.00%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.12%	91.11%
CHEMBL2581	P07339	Cathepsin D	89.21%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.73%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.22%	99.17%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.82%	94.00%
CHEMBL3401	O75469	Pregnane X receptor	81.11%	94.73%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	80.44%	95.17%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	80.17%	92.62%
CHEMBL4208	P20618	Proteasome component C5	80.07%	90.00%

Plants that contains it

• Thymus quinquecostatus

Cross-Links

• PubChem: 183540
• LOTUS: LTS0034988
• wikiData: Q83019692