1,4-Dimethoxybenzene

CAT: 0127-OR4908-01Size: 500 gDry Ice: NoHazardous: No

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CAT#:0127-OR4908-01Size:500 g

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CAS Number

150-78-7

Synonyms

Hydroquinone dimethyl ether

MDL Number

MFCD00008401

Purity

99%

Smiles

COc1ccc(OC)cc1

Chemical Information

1,4-Dimethoxybenzene

1,4-Dimethoxybenzene is a dimethoxybenzene.

CAS Number	150-78-7
PubChem CID	9016
IUPAC Name	1,4-dimethoxybenzene
Molecular Formula	C8H10O2
Molecular Weight	138.16
XLogP	2
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	73

SMILES

COC1=CC=C(C=C1)OC

InChI

InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3

InChIKey

OHBQPCCCRFSCAX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 150-78-7

CID: 9016

Formula: C8H10O2

MW: 138.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.16
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	138.068079557
Monoisotopic Mass	138.068079557
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	73.3
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
OR1098468-01	1-isopropyl-2,4-dimethoxybenzene
OR1093858	4-Isopropoxy-1,2-dimethoxybenzene
BUP20619-01	4-ethyl-1,2-dimethoxybenzene
OR28742-01	4-Bromo-1,2-dimethoxybenzene
OR1020988-01	1-Chloro-2,4-dimethoxybenzene
OR4515-01	1-Bromo-2,4-dimethoxybenzene
PC450147-01	1-Fluoro-2,4-dimethoxybenzene
OR1026743-01	4-Isocyanato-1,2-Dimethoxybenzene
OR32499-01	4-Chloro-1,2-dimethoxybenzene
OR1009505-01	1-Iodo-3,4-Dimethoxybenzene

Catalog	Name
C6869-1000	1,4-Dimethoxybenzene
MBS5789878	Trichloro-1,4-dimethoxybenzene
sc-497067	1,4-Dimethoxybenzene-D6
HY-W015780S-01	1,4-Dimethoxybenzene-d10
HY-W015780S1	1,4-Dimethoxybenzene-d4
HY-W015780R-01	1,4-Dimethoxybenzene (Standard)
TDA48930-01	2- (Isocyanatomethyl) -1,4-dimethoxybenzene
HY-Y0159-01	1-Bromo-2,4-dimethoxybenzene
429351-01	4- (Benzyloxy) -1,2-dimethoxybenzene
409774-01	1-Fluoro-2,4-dimethoxybenzene