3',5'-Dihydroxyacetophenone
Product Information
Molecular Formula
C8H8O3
Molecular Weight
152.15
Description
3',5'-Dihydroxyacetophenone (CAS# 51863-60-6) is a dihydroxy derivative of acetophenone. 3',5'-Dihydroxyacetophenone shows inhibitory activity towards plant germination and growth as well as some antitumor activity.
Synonyms
1-(3,5-dihydroxyphenyl)ethanone; 1-(3,5-dihydroxyphenyl)ethanone
IUPAC Name
1-(3,5-dihydroxyphenyl)ethanone
SMILES
CC(=O)C1=CC(=CC(=C1)O)O
InChI
InChI=1S/C8H8O3/c1-5(9)6-2-7(10)4-8(11)3-6/h2-4,10-11H,1H3
InChI Key
WQXWIKCZNIGMAP-UHFFFAOYSA-N
Boiling Point
234.6 °C (rough estimate)
Melting Point
145-146 °C (lit.)
Purity
97 %
Density
1.2143 (rou gh estimate)
Solubility
6.943e+004 mg/L at 25 °C (est)
Appearance
Off-white to brown powder
Refractive Index
1.4447 (estimate)
LogP
1.30040
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
0.9
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
152.047344113 g/mol
Monoisotopic Mass
152.047344113 g/mol
Topological Polar Surface Area
57.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
145
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113456626-A | Xanthine oxidase inhibitor and screening method and application thereof | 2021-08-16 |
| CN-113831296-A | 1-phenyl-3- (4- (pyrimidine-5-amino) phenyl) prop-2-ene-1-ketone compound and application thereof | 2021-07-27 |
| CN-113387800-A | Preparation method of 3, 5-dimethoxybenzoic acid methyl ester | 2021-06-09 |
| CN-113045437-A | Preparation method of terbutaline sulfate | 2021-03-16 |
| CN-112898190-A | Cannabidiol derivative and preparation method thereof | 2021-02-07 |
| CN-112209841-A | Synthesis method of terbutaline and application of terbutaline in preparation of terbutaline sulfate | 2020-10-22 |
| CN-112209841-B | Synthesis method of terbutaline and application of terbutaline in preparation of terbutaline sulfate | 2020-10-22 |
| CN-112250586-A | Preparation method of terbutaline sulfate and B crystal form thereof | 2020-10-21 |
| CN-114073688-A | Application of 2, 3-diaryl derivative in preparation of medicine for treating liver-related diseases | 2020-08-19 |
| CN-114075102-A | 2, 3-diaryl indene derivative, preparation method, pharmaceutical composition and application thereof | 2020-08-19 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 19097778 | 2009-02-01 | Synthesis and biological evaluation of phloridzin analogs as human concentrative nucleoside transporter 3 (hCNT3) inhibitors | Bioorganic & medicinal chemistry letters |
