4- (4-Ethoxyphenyl) Cyclohexanone

CAT: 0127-OR1027535-02Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1027535-02Size:250 mg

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CAS Number

163671-48-5

Synonyms

4- (4-ethoxyphenyl) cyclohexan-1-one

Purity

99%

Smiles

CCOC1=CC=C(C=C1)C2CCC(=O)CC2

Chemical Information

4-(4-Ethoxyphenyl)cyclohexanone

CAS Number	163671-48-5
PubChem CID	22145307
IUPAC Name	4-(4-ethoxyphenyl)cyclohexan-1-one
Molecular Formula	C14H18O2
Molecular Weight	218.29
XLogP	2.5
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	219

SMILES

CCOC1=CC=C(C=C1)C2CCC(=O)CC2

InChI

InChI=1S/C14H18O2/c1-2-16-14-9-5-12(6-10-14)11-3-7-13(15)8-4-11/h5-6,9-11H,2-4,7-8H2,1H3

InChIKey

VBGMDGDDOADTCY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 163671-48-5

CID: 22145307

Formula: C14H18O2

MW: 218.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.29
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	218.130679813
Monoisotopic Mass	218.130679813
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	219
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
OR1096763-01	1- (4-ethoxyphenyl) cyclohexanol
OR1023830	4- (4-Methylphenyl) Cyclohexanone
OR480590-01	4- (4-Hydroxyphenyl) cyclohexanone
OR1027562-01	4- (4-Bromophenyl) Cyclohexanone
OR1073236-01	4- (4-Methoxyphenyl) cyclohexanone
OR1069735-01	4- (4-Chlorophenyl) cyclohexanone
OR80150-01	4- (4-Ethylcyclohexyl) cyclohexanone
OR1099455	4- (Benzoyloxy) cyclohexanone
OR96316-01	4- (Dibenzylamino) cyclohexanone
OR1011193-01	4- (Phthalimido) -Cyclohexanone

Catalog	Name
429479-01	4- (Dibenzylamino) cyclohexanone
265821-01	4- (Benzylamino) cyclohexanone
290357-01	4- (Trifluoromethyl) cyclohexanone
sc-276874	4- (Hydroxymethyl) cyclohexanone
sc-277420	4-Hydroxy Cyclohexanone
268492-01	4- (4-Chlorophenyl) cyclohexanone
sc-261624A	4-Acetamido-cyclohexanone
MJB12972-01	4- (Methylsulfonyl) cyclohexanone
sc-482791	4-Methoxy-cyclohexanone
TRC-N125960-100MG	4-(4-Nitrophenyl)cyclohexanone