2-Phenylacetophenone - CAS 451-40-1

Catalog:	BB025776
Product Name:	2-Phenylacetophenone
CAS:	451-40-1
Synonyms:	1,2-diphenylethanone

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Computed Properties

IUPAC Name:	1,2-diphenylethanone
Description:	2-Phenylacetophenone (CAS# 451-40-1) is used in the synthesis of 2,6-diamino-substituted purine derivatives as potential cardiomyogenesis inducing agents.
Molecular Weight:	196.24
Molecular Formula:	C14H12O
Canonical SMILES:	C1=CC=C(C=C1)CC(=O)C2=CC=CC=C2
InChI:	InChI=1S/C14H12O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2
InChI Key:	OTKCEEWUXHVZQI-UHFFFAOYSA-N
Boiling Point:	320 ℃
Purity:	97 %
Density:	1.2 g/cm³
Appearance:	White to off-white crystalline powder
MDL:	MFCD00003081
LogP:	3.11200

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PMID	Publication Date	Title	Journal
24006495	20131101	Flavanones that selectively inhibit TRPM3 attenuate thermal nociception in vivo	Molecular pharmacology
23190005	20130401	Citrus fruit and fabacea secondary metabolites potently and selectively block TRPM3	British journal of pharmacology
22835872	20120901	Design, synthesis and molecular simulation studies of dihydrostilbene derivatives as potent tyrosinase inhibitors	Bioorganic & medicinal chemistry letters
22865646	20120901	Antihyperuricemic and nephroprotective effects of resveratrol and its analogues in hyperuricemic mice	Molecular nutrition & food research
22670770	20120627	Identification of enterodiol as a masker for caffeine bitterness by using a pharmacophore model based on structural analogues of homoeriodictyol	Journal of agricultural and food chemistry

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Related Functional Groups

Carbonyl Compounds

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Complexity:	197
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.088815002
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	196.088815002
Rotatable Bond Count:	3
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2