2-Methoxy-4-phenylcyclohexan-1-one

CAT: 0926-DXC60545-02Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-DXC60545-02Size:0.5 g

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CAS Number

1803605-45-9

MDL Number

MFCD28397409

Smiles

COC1CC (CCC1=O) C2=CC=CC=C2

Molecular Formula

C13H16O2

Molecular Weight

204.26 g/mol

Controlled

Chemical Information

2-Methoxy-4-phenylcyclohexan-1-one

CAS Number	1803605-45-9
PubChem CID	19030151
IUPAC Name	2-methoxy-4-phenylcyclohexan-1-one
Molecular Formula	C13H16O2
Molecular Weight	204.26
XLogP	2.1
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	219

SMILES

COC1CC(CCC1=O)C2=CC=CC=C2

InChI

InChI=1S/C13H16O2/c1-15-13-9-11(7-8-12(13)14)10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3

InChIKey

BDWYLSNDWRACPH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1803605-45-9

CID: 19030151

Formula: C13H16O2

MW: 204.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	204.26
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	204.115029749
Monoisotopic Mass	204.115029749
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	219
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
DXC58926-01	2-Methoxy-4-phenylcyclohexan-1-amine hydrochloride
NDA95899-01	2-Methyl-4-phenylcyclohexan-1-one
FD161471-01	4- (Dimethylamino) -4-phenylcyclohexan-1-one
BCA17173-01	4-Hydroxy-4-phenylcyclohexan-1-one
CQB91647-01	4- (Azetidin-1-yl) -4-phenylcyclohexan-1-one
FAA76913	4-Phenylcyclohexan-1-ol
EAA55192-01	2- (Ethylamino) -2-phenylcyclohexan-1-one, hydrochloride
JHD97165-01	4,4-Dimethyl-2-phenylcyclohexan-1-amine hydrochloride
LIC70875-01	4-Amino-1-phenylcyclohexan-1-ol
XAA72050-01	2-Phenylcyclohexan-1-amine hydrochlorides

Catalog	Name
OR5040-01	4-Phenylcyclohexan-1-one
OR310320-01	4- (Hydroxymethyl) -4-phenylcyclohexan-1-one
OR933659	4- (Dimethylamino) -4-phenylcyclohexan-1-one
OR340127	2- (3-Chloro-4-nitrophenyl) -4-phenylcyclohexan-1-one
OR1005281	Cis-4-Phenylcyclohexan-1-ol
MBS5761573	4-Methoxy-1-methylquinolin-2-one
OR1057182-01	4-Methoxy-1-methylindolin-2-one
sc-355698A	N-methyl-4-phenylcyclohexan-1-amine hydrochloride
OR1064862-01	4-Methoxy-1-methylpyridin-2 (1H) -one
TRC-M336940-750MG	4-Methoxy-4-methylcyclohexan-1-one