2-Ethyl-6-methoxyphenol

Details

• Internal ID: 037b2a30-42ac-4160-936b-7b66950c39c6
• Taxonomy: Benzenoids > Phenols > Methoxyphenols
• IUPAC Name: 2-ethyl-6-methoxyphenol
• InChI: InChI=1S/C9H12O2/c1-3-7-5-4-6-8(11-2)9(7)10/h4-6,10H,3H2,1-2H3
• InChI Key: RSZPVOABCKCPKY-UHFFFAOYSA-N
• Popularity: 88 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₂O₂
• Molecular Weight: 152.19 g/mol
• Exact Mass: 152.083729621 g/mol
• Topological Polar Surface Area (TPSA): 29.50 Ų
• XlogP: 2.30

Synonyms

• 90534-46-6
• 6-Ethylguaiacol
• Phenol, 2-ethyl-6-methoxy-
• L5S7PJR6D7
• 6-Ethyl-2-methoxyphenol
• UNII-L5S7PJR6D7
• SCHEMBL9576160
• 2-METHOXY-6-ETHYLPHENOL
• 3-ETHYL-2-HYDROXYANISOLE
• DTXSID00920335
• AKOS024049866
• MB24092
• AS-50067
• O10769

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	96.25%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.24%	86.33%
CHEMBL2581	P07339	Cathepsin D	93.14%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.63%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.33%	95.56%
CHEMBL1255126	O15151	Protein Mdm4	85.74%	90.20%
CHEMBL2535	P11166	Glucose transporter	85.49%	98.75%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.90%	94.00%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	83.22%	96.00%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	80.96%	92.62%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.58%	99.17%

Plants that contains it

• Gossypium hirsutum

Cross-Links

• PubChem: 180594
• LOTUS: LTS0229991
• wikiData: Q82893025