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Thymol methyl ether

CAT: 0931-TN6884-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TN6884-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1076-56-8
Target
Antibiotic, Antibacterial, Antioxidant
Related Pathways
Microbiology/Virology, Oxidation-Reduction
Purity
0.9979
Bioactivity
Thymol methyl ether (2-methoxy-4-methyl-1- (propan-2-yl) benzene) is a volatile substance present in the rhizomes of Arnica officinalis with potential antibacterial and anticancer antioxidant activity.
Smiles
O(C1=CC(=CC=C1C(C)C)C)C
Molecular Formula
C11H16O
Molecular Weight
164.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Thymyl methyl ether

Thymol methyl ether is a monoterpenoid.

CAS Number1076-56-8
PubChem CID14104
IUPAC Name2-methoxy-4-methyl-1-propan-2-ylbenzene
Molecular FormulaC11H16O
Molecular Weight164.24
XLogP3.8
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity131
SMILES
CC1=CC(=C(C=C1)C(C)C)OC
InChI
InChI=1S/C11H16O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-8H,1-4H3
InChIKey
LSQXNMXDFRRDSJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thymyl methyl ether
CAS: 1076-56-8
CID: 14104
Formula: C11H16O
MW: 164.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.24
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass164.120115130
Monoisotopic Mass164.120115130
Topological Polar Surface Area9.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity131
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

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