1,4-Diethoxybenzene

CAT: 0127-OR18328-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR18328-01Size:25 g

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CAS Number

122-95-2

Synonyms

Hydroquinone diethyl ether

MDL Number

MFCD00015146

Purity

98%

Smiles

CCOc1ccc(OCC)cc1

Chemical Information

1,4-Diethoxybenzene

CAS Number	122-95-2
PubChem CID	67150
IUPAC Name	1,4-diethoxybenzene
Molecular Formula	C10H14O2
Molecular Weight	166.22
XLogP	2.5
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	92

SMILES

CCOC1=CC=C(C=C1)OCC

InChI

InChI=1S/C10H14O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8H,3-4H2,1-2H3

InChIKey

VWGNFIQXBYRDCH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 122-95-2

CID: 67150

Formula: C10H14O2

MW: 166.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.22
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	166.099379685
Monoisotopic Mass	166.099379685
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	92.4
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
OR1081144-01	1-Bromo-2,4-diethoxybenzene
OR1098261	4-Bromo-1,2-diethoxybenzene
OR8806-01	1,2-Diethoxybenzene
OR920967-01	1,3-Diethoxybenzene
OR1098942-01	1,2-dibromo-4,5-diethoxybenzene
OR1099831-01	1-Bromo-3-chloro-2,4-diethoxybenzene
OR1087701-01	1-bromo-3,5-diethoxybenzene
OR1078835-01	1-Chloro-2,5-diethoxybenzene
OR1097532-01	1-bromo-2,3-diethoxybenzene
OR1093714-01	5-bromo-2-chloro-1,3-diethoxybenzene

Catalog	Name
DCA20708-01	4-Bromo-1,2-diethoxybenzene
CBA47220-01	4- (Chloromethyl) -1,2-diethoxybenzene
B04330	2-Benzoylamino-1 4-Diethoxybenzene
EEA29687-01	3,4-Diethoxybenzene-1-sulfonamide
sc-265011	1,2-Diethoxybenzene
sc-265051	1,3-Diethoxybenzene
ZDA18817-01	3,4-Diethoxybenzene-1-sulfonyl chloride
BEA90755-01	1,4-Dibromo-2,5-diethoxybenzene
D19220	O-Diethoxybenzene
D19240-01	P-Diethoxybenzene