2',4',6'-Trimethylacetophenone

CAT: 0127-OR345033-01Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR345033-01Size:5 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1667-01-2

MDL Number

MFCD00008735

Purity

98%

Smiles

CC(=O)c1c(C)cc(C)cc1C

Chemical Information

Ethanone, 1-(2,4,6-trimethylphenyl)-

R1204 is G-protein-coupled receptor modulator. It is developed for the treatment of depression.

CAS Number	1667-01-2
PubChem CID	15461
IUPAC Name	1-(2,4,6-trimethylphenyl)ethanone
Molecular Formula	C11H14O
Molecular Weight	162.23
XLogP	2.7
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	162

SMILES

CC1=CC(=C(C(=C1)C)C(=O)C)C

InChI

InChI=1S/C11H14O/c1-7-5-8(2)11(10(4)12)9(3)6-7/h5-6H,1-4H3

InChIKey

XWCIICLTKWRWCI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1667-01-2

CID: 15461

Formula: C11H14O

MW: 162.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.23
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	162.104465066
Monoisotopic Mass	162.104465066
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	162
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
OR924731-01	2',4',5'-Trimethylacetophenone
OR1009876-01	2,2,4,4,6,6-Hexamethylcyclotrisilazane
OR27962	2,2,4,4,6,6-Hexamethylheptane
OR75211-01	4,4,4',4',6,6,6',6'-Octamethyl-2,2'-bi (1,3,2-dioxaborinane)
OR1009883	2,2',6,6'-Tetramethyl-4,4'-biphenol
OR1027319-01	2,2',6,6'-Tetramethyl-4,4'-Bipyridine
OR91002-01	4,4',6,6'-Tetramethyl-2,2'-bipyridine
OR1092709-01	2,2',6,6'-Tetrachloro-4,4'-bipyridine
OR1030867-01	2,4,6-Trimethyl-2,4,6-Trivinylcyclotrisilazane
OR1048813-01	4,4',6,6'-Tetramethyl-2,2'-bipyrimidine

Catalog	Name
TN9316-01	2',4',6'-Trimethylacetophenone
T26405-01	2,4,6-Trimethylacetophenone 98%
IBA97903-01	2,2',4,4',6,6'-Hexachlorobiphenyl
sc-223462A	2,2,4,4,6,6-Hexamethylcyclotrisilazane
AR-B07334-01	2,2'4,4',6,6'-Hexabromobiphenyl
FH102053-01	2,2,4,4,6,6-Hexakis (2,2-difluoroethoxy) -2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorine
419427-01	2, 2, 4, 4, 6, 6-Hexakis (2, 2, 3, 3, 4, 4-hexafluorobutoxy) -2, 2, 4, 4, 6, 6-hexahydro-1, 3, 5, 2, 4, 6-Triazatriphosphorine
FH102721-01	2,2,4,4,6,6-Hexakis (2,2,3,3,4,4-hexafluorobutoxy) -2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorine
TRC-H293978-10MG	2,2,4,4,6,6-Hexakis(2,2,3,3,4,4-hexafluorobutoxy)-2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-Triazatriphosphorine
TRC-H281405-25MG	2,2',4,4',6,6'-Hexabromo-bibenzyl