2,4,5-Trimethylbenzophenone

CAT: 0024-sc-475605Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-475605Size:1 g

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CAS Number

52890-52-5

Chemical Information

Phenyl(2,4,5-trimethylphenyl)methanone

CAS Number	52890-52-5
PubChem CID	14907151
IUPAC Name	phenyl-(2,4,5-trimethylphenyl)methanone
Molecular Formula	C16H16O
Molecular Weight	224.30
XLogP	4.4
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	265

SMILES

CC1=CC(=C(C=C1C)C(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C16H16O/c1-11-9-13(3)15(10-12(11)2)16(17)14-7-5-4-6-8-14/h4-10H,1-3H3

InChIKey

FTPZYWUJDVZEIE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52890-52-5

CID: 14907151

Formula: C16H16O

MW: 224.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	224.30
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	224.120115130
Monoisotopic Mass	224.120115130
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	265
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

Catalog	Name
sc-311070	4,4'-Dimethoxy-2,2'5,5'-tetraacetoxybiphenyl
sc-289494	4- (4-amino-2,5-dimethylbenzyl) -2,5-dimethylaniline
sc-238260	2,2',4,4',5,5'-Hexachlorobiphenyl (IUPAC No. 153)
sc-352595A	5- (2,4-difluorophenyl) -5-methylimidazolidine-2,4-dione
sc-277871	5- (2,4-dichlorophenyl) -5-methylimidazolidine-2,4-dione
sc-352595	5- (2,4-difluorophenyl) -5-methylimidazolidine-2,4-dione
sc-225585	2,2',3,4,4',5'-HexaBDE
sc-282601A	2- (3,4,5-Trifluorobenzene) -4,4,5,5-tetramethyl-1,3,2-dioxaborolane
sc-481395	4,4,5,5-Tetramethyl-2- (5- (4,4,5,5-tetramethyl-1,3-dioxolan-2-yl) thiophen-2-yl) -1,3,2-dioxaborolane
sc-282601	2- (3,4,5-Trifluorobenzene) -4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Catalog	Name
TRC-T219405-5G	2,4,6-Trimethylbenzophenone
419542	2,2',4,4',5,5'-Hexachlorobiphenyl
JH920087	4,4,4',4',5,5,5',5'-octaethyl-2,2'-bi (1,3,2-dioxaborolane)
PC107420	4- (4,4,5,5,5-Pentafluoropentoxy) -N- (2,2,2-trifluoroethyl) aniline
PC450348	2,2,3,4,4,4-Hexafluorobutyl 4,4,5,5,5-pentafluoropentyl carbonate
AR-D01954-01	2,2',4,4',5,5'-Hexabromodiphenyl Ether
TRC-H265060-25MG	2,2',3,4,4',5,5'-Heptachlorobiphenyl
PC450323	4,4,5,5,5-Pentafluoropentyl 2,2,2-trifluoroethyl carbonate
AR-B07325-01	2,2',3,4,4',5,5'-heptabromobiphenyl
JH917098	4--5--2-