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3-Hydroxy-4-methoxyacetophenone

CAT: 0804-HY-W002484-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-W002484-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
3-Hydroxy-4-methoxyacetophenone (Acetoisovanillone; Isoacetovanillone) is an active compound isolated from P. spinosa. Isoacetovanillone possesses anti-inflammatory activity and prevented injuries due to administration of acetic acid in the colon[1].
CAS Number
6100-74-9
Product Name Alternative
Acetoisovanillone; Isoacetovanillone
UNSPSC
12352005
Hazard Statement
H302
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/3-hydroxy-4-methoxyacetophenone.html
Purity
99.87
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
CC(C1=CC=C(OC)C(O)=C1)=O
Molecular Formula
C9H10O3
Molecular Weight
166.18
Precautions
H302
References & Citations
[1]Minaiyan M, et al. Anti-inflammatory effect of Pycnocycla spinosa extract and its component isoacetovanillone on acetic acid induced colitis in rats. Res Pharm Sci. 2015 Jul-Aug;10 (4) :345-55.
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

1-(3-Hydroxy-4-methoxyphenyl)ethanone

Isoacetovanillone is a member of phenols and a member of methoxybenzenes. It has a role as a metabolite.

CAS Number6100-74-9
PubChem CID95693
IUPAC Name1-(3-hydroxy-4-methoxyphenyl)ethanone
Molecular FormulaC9H10O3
Molecular Weight166.17
XLogP1.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity167
SMILES
CC(=O)C1=CC(=C(C=C1)OC)O
InChI
InChI=1S/C9H10O3/c1-6(10)7-3-4-9(12-2)8(11)5-7/h3-5,11H,1-2H3
InChIKey
YLTGFGDODHXMFB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-Hydroxy-4-methoxyphenyl)ethanone
CAS: 6100-74-9
CID: 95693
Formula: C9H10O3
MW: 166.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.17
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass166.062994177
Monoisotopic Mass166.062994177
Topological Polar Surface Area46.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity167
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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