3',5'-Dihydroxyacetophenone

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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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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