4-Methoxy-2,6-dimethylphenol

CAT: 0926-CAA43191Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-CAA43191Size:2.5 g

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CAS Number

2431-91-6

MDL Number

MFCD14537195

Smiles

CC1=CC (=CC (=C1O) C) OC

Molecular Formula

C9H12O2

Molecular Weight

152.19 g/mol

Controlled

Chemical Information

Methylcreosol (mixed isomers)

CAS Number	2431-91-6
PubChem CID	73996
IUPAC Name	4-methoxy-2,6-dimethylphenol
Molecular Formula	C9H12O2
Molecular Weight	152.19
XLogP	1.3
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	113

SMILES

CC1=CC(=CC(=C1O)C)OC

InChI

InChI=1S/C9H12O2/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5,10H,1-3H3

InChIKey

UCHRDYUBDZOFBJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2431-91-6

CID: 73996

Formula: C9H12O2

MW: 152.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.19
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	152.083729621
Monoisotopic Mass	152.083729621
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	113
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
EAA96228-01	4-Methoxy-2,5-dimethylphenol
KAA57069-01	4-Ethyl-2,6-dimethylphenol
AAA87615-01	4- (Aminomethyl) -2,6-dimethylphenol
BAA12363	4-Chloro-2,6-dimethylphenol
QAA19136	2-Bromo-4,6-dimethylphenol
FM62636-01	4,4'-Methylenebis (2,6-dimethylphenol)
AAA93736-01	4- (Aminomethyl) -2,6-dimethylphenol hydrochloride
RDA25184-01	4- (2-Aminoethyl) -2,6-dimethylphenol hydrochloride
LCA00021-01	(4-Methoxy-2,6-dimethylphenyl) methanol
LCA00023-01	2- (4-Methoxy-2,6-dimethylphenyl) acetonitrile

Catalog	Name
OR957565-01	4-Methoxy-2,6-dimethylphenol
OR1098713	3-Methoxy-2,6-dimethylphenol
OR1085650-01	6-Bromo-4-methoxy-2,3-dimethylphenol
OR1094026	5-Methoxy-2,4-dimethylphenol
OR957564	4-Methoxy-2,5-dimethylphenol
OR1093893	2-Methoxy-4,5-dimethylphenol
JH218640	4-Fluoro-2,6-dimethylphenol
sc-256081A	2-Bromo-4,6-dimethylphenol
TRC-C994636-10MG	4-Chloro-2,6-dimethylphenol
sc-348186A	4- (aminomethyl) -2,6-dimethylphenol