4-Methyl-2,6-dimethoxyphenol

Details

• Internal ID: f7481832-66be-4978-8943-d0ff7195db3b
• Taxonomy: Benzenoids > Phenols > Methoxyphenols
• IUPAC Name: 2,6-dimethoxy-4-methylphenol
• InChI: InChI=1S/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5,10H,1-3H3
• InChI Key: ZFBNNSOJNZBLLS-UHFFFAOYSA-N
• Popularity: 324 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₂O₃
• Molecular Weight: 168.19 g/mol
• Exact Mass: 168.078644241 g/mol
• Topological Polar Surface Area (TPSA): 38.70 Ų
• XlogP: 1.90

Synonyms

• 6638-05-7
• 4-Methyl-2,6-dimethoxyphenol
• 4-Methylsyringol
• Phenol, 2,6-dimethoxy-4-methyl-
• 2,6-Dimethoxy-p-cresol
• 3,5-Dimethoxy-4-hydroxytoluene
• p-Cresol, 2,6-dimethoxy-
• 4-Hydroxy-3,5-dimethoxytoluene
• FJJ5MYE75W
• FEMA No. 3704
• UNII-FJJ5MYE75W
• NSC-47901
• 1-Methyl-3,5-dimethoxy-4-hydroxybenzene
• 2,6-DIMETHOXY-4-CRESOL
• DTXSID10216599
• EINECS 229-641-6
• NSC 47901
• 4-METHYL-2,6-DIMETHOXYPHENOL [FHFI]
• RefChem:99717
• DTXCID90139090
• 1730647
• InChI=1/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5,10H,1-3H
• Methylsyringol
• Methylsyringol (VAN)
• ZFBNNSOJNZBLLS-UHFFFAOYSA-N
• MFCD00017289
• 2,6-dimethoxy-4-methyl-phenol
• Syringol, 4-methyl
• SCHEMBL153766
• SCHEMBL562147
• CHEMBL205268
• orb1311040
• SCHEMBL16245222
• FEMA 3704
• 3,5-Dimethoxy-4-hydroxy-toluene
• CHEBI:172423
• Phenol, 4-methyl-2,6-dimethoxy
• NSC47901
• CM-358
• SBB071401
• 2,6-Dimethoxy-4-methylphenol, 9CI
• 4-Methyl-2,6-dimethoxyphenol, 97%
• AKOS000120559
• FD41549
• HY-W100715
• 4-Methyl-2,6-dimethoxyphenol, >=97%
• AS-17263
• ST088111
• SY035503
• DB-020219
• CS-0153357
• D2591
• NS00022641
• EN300-18157
• M-2849
• 4-Methyl-2,6-dimethoxyphenol (4-methylsyringol)
• F239025
• Q27278026
• Z57234306
• UB9

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.11%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.09%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.98%	95.56%
CHEMBL241	Q14432	Phosphodiesterase 3A	83.48%	92.94%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	81.79%	94.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.01%	86.33%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 240925
• NPASS: NPC193067
• ChEMBL: CHEMBL205268