4'-Phenoxyacetophenone

Product Information

Molecular Formula:
C14H12O2
Molecular Weight:
212.25
Description
4'-Hydroxyacetophenone has been used as ketone component in the preparation of 1-aryl-3-phenethylamino-1-propanone hydrochlorides, potential cytotoxic agents, via Mannich reactions.
Synonyms
1-(4-phenoxyphenyl)ethanone; 1-(4-phenoxyphenyl)ethanone
IUPAC Name
1-(4-phenoxyphenyl)ethanone
Canonical SMILES
CC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2
InChI
InChI=1S/C14H12O2/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10H,1H3
InChI Key
DJNIFZYQFLFGDT-UHFFFAOYSA-N
Boiling Point
200 °C / 12 mmHg (lit.)
Flash Point
235.4 °F
Purity
98 %
Density
1.108 g/cm3
Refractive Index
n20/D 1.533 (lit.)
LogP
3.68150

Safety Information

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
3.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
212.083729621 g/mol
Monoisotopic Mass
212.083729621 g/mol
Topological Polar Surface Area
26.3Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
223
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-114057626-A Indole-2, 3-dione derivative, preparation method thereof and anti-liver cancer drug for inhibiting RECQL4 specific expression 2021-12-07
CN-112877053-A Medium-high temperature corrosion inhibitor for acid fracturing and preparation method thereof 2021-01-18
WO-2022047394-A1 3d printed composites from phase separated materials 2020-08-31
US-2022056161-A1 Articles comprising crosslinked polymer network comprising thioether crosslinks and process of making and using same 2020-08-21
WO-2022032236-A2 Polymeric composite membranes having oriented nanochannels and methods of making the same 2020-08-07
WO-2022023737-A1 Additive manufacturing composition for 3-d printed object 2020-07-28
CN-212739467-U A change material device for famoxadone production 2020-07-14
WO-2022012550-A1 Substituted 1h-imidazo [1, 2-b] pyrazole-3-carboxamide as bruton's tyrosine kinase inhibitors 2020-07-13
EP-3936572-A1 Method for preparing a 3d-printed silicone 2020-07-10
WO-2022008721-A1 Method for preparing a 3d-printed silicone 2020-07-10

Literatures

PMID Publication Date Title Journal
4318071 1970-07-01 Antiviral phenoxathiins and their analogs. Study of the structure-activity relationships for antiviral activity and the replacement ability in poliovirus type 3 dependent variants Journal of medicinal chemistry
The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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