1- (2-ethoxy-4-methoxyphenyl) -Ethanone

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CAS Number

67082-94-4

MDL Number

MFCD00599292

Smiles

O (CC) c1c (C (=O) C) ccc (OC) c1

Chemical Information

1-(2-Ethoxy-4-methoxyphenyl)ethan-1-one

CAS Number	67082-94-4
PubChem CID	17245120
IUPAC Name	1-(2-ethoxy-4-methoxyphenyl)ethanone
Molecular Formula	C11H14O3
Molecular Weight	194.23
XLogP	2.1
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	191

SMILES

CCOC1=C(C=CC(=C1)OC)C(=O)C

InChI

InChI=1S/C11H14O3/c1-4-14-11-7-9(13-3)5-6-10(11)8(2)12/h5-7H,4H2,1-3H3

InChIKey

BFIAYGHABUVBDH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 67082-94-4

CID: 17245120

Formula: C11H14O3

MW: 194.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.23
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	194.094294304
Monoisotopic Mass	194.094294304
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	191
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
OR1093794-01	1- (4-Ethoxy-3-methoxyphenyl) ethanone
OR1085872-01	1- (2-ethoxy-5-methoxyphenyl) ethanone
OR1087816-01	1- (3-ethoxy-2-methoxyphenyl) ethanone
OR81552-01	1- (3-Ethoxy-4-methoxyphenyl) -2- (methylsulfonyl) ethanone
OR1087835-01	2-Chloro-1- (3-ethoxy-2-methoxyphenyl) ethanone
PC1016204-01	1- (4-Ethoxy-3-fluoro-5-methoxyphenyl) ethanone
OR1087838-01	1- (3-Ethoxy-5-methoxyphenyl) ethanone
OR1080197	1- (4-Ethoxy-2-methylphenyl) ethanone
PC1022060-01	1- (4-Ethoxy-2-fluorophenyl) ethanone
OR1095117-01	1- (2-Ethoxy-4-methylphenyl) ethanone

Catalog	Name
TRC-B437933-100MG	1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanone
280053-01	1- (2-Hydroxy-4-methoxyphenyl) -2- (4-methoxyphenyl) ethanone
TRC-M077280-1G	1-(4-Methoxyphenyl)-2-((3-methoxyphenyl)-thio)ethanone
TRC-B489800-5G	1,2-Bis(4-methoxyphenyl)ethanone
RBA06836-01	1- (2-Chloro-4-methoxyphenyl) ethanone
410595-01	1,2-Bis (4-methoxyphenyl) ethanone
sc-274463	2-chloro-1- (4-methoxyphenyl) ethanone
407985-01	1- (4-Bromo-2-methoxyphenyl) ethanone
sc-332415	1- (2,4-dihydroxyphenyl) -2- (4-methoxyphenyl) ethanone
TRC-H119100-1G	2-(2-Hydroxyphenoxy)-1-(4-methoxyphenyl)ethanone