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2,6-Dimethoxy-4-methylphenol

CAT: 0127-OR912037-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR912037-01Size:1 g
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CAS Number
6638-05-7
MDL Number
MFCD00017289
Purity
95%
Smiles
COc1cc(C)cc(OC)c1O

Chemical Information

4-Methyl-2,6-dimethoxyphenol

2,6-Dimethoxy-4-methylphenol is a member of phenols and a member of methoxybenzenes.

CAS Number6638-05-7
PubChem CID240925
IUPAC Name2,6-dimethoxy-4-methylphenol
Molecular FormulaC9H12O3
Molecular Weight168.19
XLogP1.9
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity124
SMILES
CC1=CC(=C(C(=C1)OC)O)OC
InChI
InChI=1S/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5,10H,1-3H3
InChIKey
ZFBNNSOJNZBLLS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methyl-2,6-dimethoxyphenol
CAS: 6638-05-7
CID: 240925
Formula: C9H12O3
MW: 168.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight168.19
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass168.078644241
Monoisotopic Mass168.078644241
Topological Polar Surface Area38.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity124
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes