2,6-Dimethylphenol

Details

• Internal ID: 58088af3-03a0-4c26-b530-89a4b9c2cb97
• Taxonomy: Benzenoids > Phenols > Cresols > Ortho cresols
• IUPAC Name: 2,6-dimethylphenol
• SMILES (Canonical): CC1=C(C(=CC=C1)C)O
• SMILES (Isomeric): CC1=C(C(=CC=C1)C)O
• InChI: InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
• InChI Key: NXXYKOUNUYWIHA-UHFFFAOYSA-N
• Popularity: 2,117 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₁₀O
• Molecular Weight: 122.16 g/mol
• Exact Mass: 122.073164938 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 2.40

Synonyms

• 576-26-1
• 2,6-Xylenol
• Phenol, 2,6-dimethyl-
• 2,6-Dimethyl phenol
• 1-Hydroxy-2,6-dimethylbenzene
• 2-Hydroxy-m-xylene
• 25134-01-4
• 2,6-Dmp
• 2,6-Dimethyl-phenol
• FEMA No. 3249
• 2-Hydroxy-1,3-dimethylbenzene
• Dimethylphenol, 2,6-
• NSC 2123
• MFCD00002240
• I8N0RO87OV
• CHEMBL30106
• 1,3-Dimethyl-2-hydroxybenzene
• 2,6-Dimethylphenol-d9(Major)
• DTXSID9024063
• Vic-m-xylenol
• NSC-2123
• DTXCID404063
• Xylenol 235
• CAS-576-26-1
• HSDB 5697
• EINECS 209-400-1
• UNII-I8N0RO87OV
• AI3-08524
• FEMA 3249
• m-2-Xylenol
• 2MY
• Mexiletine Hydrochloride Imp. A (EP); Mexiletine Imp. A (EP); 2,6-Dimethylphenol; Mexiletine Hydrochloride Impurity A; Mexiletine Impurity A
• 2.6-xylenol
• 2,6 Dimethylphenol
• 2,6-di-methylphenol
• 1,2,6-Xylenol
• 1,3,2-Xylenol
• Phenol,2,6-dimethyl-
• 2,6-Xylenol, 8CI
• 2,6-Dimethylphenol,(S)
• EC 209-400-1
• SCHEMBL64141
• 2,6-Dimethylphenol, 99%
• WLN: QR B1 F1
• 2,6-XYLENOL [FHFI]
• 2,6-Xylenol, >=99%
• 26XY
• 1-Hydroxy-2, 6-dimethylbenzene
• NSC2123
• 3f37
• 3f38
• CHEBI:180557
• XYLENOL 2,6-DIMETHYLPHENOL
• 2,6-DIMETHYLPHENOL [HSDB]
• 2,6-Dimethylphenol, >=99.5%
• Tox21_201274
• Tox21_300157
• BDBM50240430
• AKOS000118743
• 2,6-Dimethylphenol, analytical standard
• NCGC00091680-01
• NCGC00091680-02
• NCGC00091680-03
• NCGC00254005-01
• NCGC00258826-01
• XYLENOL 2,6-DIMETHYLPHENOL [MI]
• AC-10727
• VS-02985
• METACRESOL IMPURITY D [EP IMPURITY]
• AM20050062
• D0776
• FT-0610682
• EN300-19433
• 2,6-Dimethylphenol 100 microg/mL in Methanol
• A806014
• A831530
• AB-131/40171179
• J-525163
• Q-200216
• Q1055852
• 2,6-Dimethylphenol, PESTANAL(R), analytical standard
• BENZENE,1,3-DIMETHYL,2-HYDROXY MFC8 H10 O1
• F0001-1500
• MEXILETINE HYDROCHLORIDE IMPURITY A [EP IMPURITY]
• Z104473832
• InChI=1/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.48%	95.56%
CHEMBL2581	P07339	Cathepsin D	89.43%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.96%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	88.54%	94.73%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	83.23%	93.65%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.38%	86.33%

Plants that contains it

• Coffea arabica

Cross-Links

• PubChem: 11335
• LOTUS: LTS0027526
• wikiData: Q1055852