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3,4,5-Trimethoxyphenol

CAT: 0572-TRC-T795895-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T795895-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
642-71-7
Synonyms
3,4,5-Trimethoxy-phenol; 3',4',5'-Trimethoxyphenol; Antiarol
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
CCCN1CC2CN(CCC)CC(C1)C2=O
Molecular Formula
C13 H24 N2 O
Molecular Weight
224.343
InChI
InChI=1S/C13H24N2O/c1-3-5-14-7-11-9-15(6-4-2)10-12(8-14)13(11)16/h11-12H,3-10H2,1-2H3
Additionnal Information
IUPAC name: 3,7-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3,4,5-Trimethoxyphenol

3,4,5-trimethoxyphenol is a member of the class of phenols that is phenol substituted by methoxy groups at positions 3, 4 and 5. It has a role as a plant metabolite. It is a member of phenols and a member of methoxybenzenes.

CAS Number642-71-7
PubChem CID69505
IUPAC Name3,4,5-trimethoxyphenol
Molecular FormulaC9H12O4
Molecular Weight184.19
XLogP0.5
Topological Polar Surface Area47.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity137
SMILES
COC1=CC(=CC(=C1OC)OC)O
InChI
InChI=1S/C9H12O4/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5,10H,1-3H3
InChIKey
VTCDZPUMZAZMSB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4,5-Trimethoxyphenol
CAS: 642-71-7
CID: 69505
Formula: C9H12O4
MW: 184.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.19
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass184.07355886
Monoisotopic Mass184.07355886
Topological Polar Surface Area47.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity137
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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