3',5'-Dihydroxyacetophenone

Inquiry

Molecular Formula:

C8H8O3

Molecular Weight:

152.15

CAS Number:

51863-60-6

Catalog Number:

51863-60-6

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

152.047344113 g/mol

Monoisotopic Mass

152.047344113 g/mol

Topological Polar Surface Area

57.5Å²

Heavy Atom Count

Formal Charge

Complexity

145

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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