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2'-Hydroxy-4'-methylacetophenone

CAT: 0804-HY-34204-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-34204-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2'-Hydroxy-4'-methylacetophenone, a phenolic compound isolated from Angelicae koreana roots possesses acaricidal property[1]. It could be used in the preparation of 4’-methyl-2’-[ (p-tolylsulfonyl) oxy] acetophenone[2].
CAS Number
6921-64-8
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Parasite
Type
Natural Products
Related Pathways
Anti-infection
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/2_acute_-Hydroxy-4_acute_-methylacetophenone.html
Purity
99.90
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC(C1=CC=C(C)C=C1O)=O
Molecular Formula
C9H10O2
Molecular Weight
150.18
Precautions
H315, H319, H335
References & Citations
[1]Oh MS, et al. Acaricidal toxicity of 2'-hydroxy-4'-methylacetophenone isolated from Angelicae koreana roots and structure-activity relationships of its derivatives. J Agric Food Chem. 2012 Apr 11;60 (14) :3606-11.|[2]De Meyer N, et al. 4'-Hydroxy-3-methoxyflavones with potent antipicornavirus activity. J Med Chem. 1991 Feb;34 (2) :736-46.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

2'-Hydroxy-4'-methylacetophenone
CAS Number6921-64-8
PubChem CID81338
IUPAC Name1-(2-hydroxy-4-methylphenyl)ethanone
Molecular FormulaC9H10O2
Molecular Weight150.17
XLogP2.2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity154
SMILES
CC1=CC(=C(C=C1)C(=O)C)O
InChI
InChI=1S/C9H10O2/c1-6-3-4-8(7(2)10)9(11)5-6/h3-5,11H,1-2H3
InChIKey
LYKDOWJROLHYOT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2'-Hydroxy-4'-methylacetophenone
CAS: 6921-64-8
CID: 81338
Formula: C9H10O2
MW: 150.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.17
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass150.068079557
Monoisotopic Mass150.068079557
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity154
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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