2-Hydroxy-2,4-dimethylbenzofuran-3(2H)-one

Details

• Internal ID: bd48dac6-d655-49a9-aa71-4bda2ebe1bbc
• Taxonomy: Organoheterocyclic compounds > Benzofurans
• IUPAC Name: 2-hydroxy-2,4-dimethyl-1-benzofuran-3-one
• InChI: InChI=1S/C10H10O3/c1-6-4-3-5-7-8(6)9(11)10(2,12)13-7/h3-5,12H,1-2H3
• InChI Key: XZTWUMWIHHLFDI-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₀O₃
• Molecular Weight: 178.18 g/mol
• Exact Mass: 178.062994177 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 1.50

Synonyms

• 2-hydroxy-2,4-dimethyl-2,3-dihydro-1-benzofuran-3-one
• 2-Hydroxy-2,4-dimethylbenzofuran-3(2H)-one
• 2-hydroxy-2,4-dimethyl-3(2H)-benzofuranone

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	94.65%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.92%	91.11%
CHEMBL2581	P07339	Cathepsin D	91.25%	98.95%
CHEMBL4040	P28482	MAP kinase ERK2	89.84%	83.82%
CHEMBL3401	O75469	Pregnane X receptor	88.32%	94.73%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.30%	86.33%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	84.49%	99.23%
CHEMBL1907	P15144	Aminopeptidase N	80.36%	93.31%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 12084863
• LOTUS: LTS0176243
• wikiData: Q77424254