2-Methyl-4-phenylcyclohexan-1-one

CAT: 0926-NDA95899-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-NDA95899-01Size:50 mg

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CAS Number

88958-99-0

MDL Number

MFCD16091354

Smiles

CC1CC (CCC1=O) C2=CC=CC=C2

Molecular Formula

C13H16O

Molecular Weight

188.26 g/mol

Controlled

Chemical Information

2-Methyl-4-phenylcyclohexan-1-one

CAS Number	88958-99-0
PubChem CID	13182592
IUPAC Name	2-methyl-4-phenylcyclohexan-1-one
Molecular Formula	C13H16O
Molecular Weight	188.26
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	14
Formal Charge	0
Complexity	203

SMILES

CC1CC(CCC1=O)C2=CC=CC=C2

InChI

InChI=1S/C13H16O/c1-10-9-12(7-8-13(10)14)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3

InChIKey

KTIRQKUKTFCXLO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 88958-99-0

CID: 13182592

Formula: C13H16O

MW: 188.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.26
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	188.120115130
Monoisotopic Mass	188.120115130
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	203
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
DXC60545-01	2-Methoxy-4-phenylcyclohexan-1-one
UDA73414-01	1-Methyl-2-phenylcyclohexan-1-ol
KCA74175-01	3-Methyl-5-phenylcyclohexan-1-one
GCA32727-01	4-Methyl-4-phenylcyclohexan-1-amine hydrochloride
FD161471-01	4- (Dimethylamino) -4-phenylcyclohexan-1-one
BCA17173-01	4-Hydroxy-4-phenylcyclohexan-1-one
TDA75913-01	N-Methyl-2-phenylcyclohexan-1-amine
CQB91647-01	4- (Azetidin-1-yl) -4-phenylcyclohexan-1-one
FAA76913	4-Phenylcyclohexan-1-ol
EAA55192-01	2- (Ethylamino) -2-phenylcyclohexan-1-one, hydrochloride

Catalog	Name
OR5040-01	4-Phenylcyclohexan-1-one
OR310320-01	4- (Hydroxymethyl) -4-phenylcyclohexan-1-one
OR933659	4- (Dimethylamino) -4-phenylcyclohexan-1-one
sc-355698	N-methyl-4-phenylcyclohexan-1-amine hydrochloride
OR340127	2- (3-Chloro-4-nitrophenyl) -4-phenylcyclohexan-1-one
OR1005281	Cis-4-Phenylcyclohexan-1-ol
426607	3-Phenylcyclohexan-1-amine Hydrochloride
OR81027-01	2-Methyl-4-nitroisoindolin-1-one
AQ NN 0206-01	1-methyl-4-phenylquinolin-2-one
OR86745-01	1-Methyl-2-thioxoimidazolidin-4-one