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2-(hydroxyMethyl)-6-Methoxy-4-Methylphenol structure

2-(hydroxyMethyl)-6-Methoxy-4-Methylphenol

 
1. Names and Identifiers
1.1 Name
2-(hydroxyMethyl)-6-Methoxy-4-Methylphenol
1.2 Synonyms
2-(hydroxyMethyl)-6-Methoxy-4-Methylphenol; 2-Hydroxy-3-methoxy-5-methylbenzylalkohol; 2-Hydroxy-3-methoxy-5-methyl-benzylalkohol; 6-Hydroxymethyl-4-methylguaiacol; 6-Hydroxymethyl-4-methylguajacol; 6-Hydroxymethyl-kreosol; Benzenemethanol, 2-hydroxy-3-methoxy-5-methyl-; Benzenemethanol,2-hydroxy-3-methoxy-5-methyl; benzenemethanol,2-hydroxy-3-methoxy-5-methyl-; MFCD24713827;
1.3 CAS No.
7452-08-6
1.4 CID
12036457
1.5 Molecular Formula
C9H12O3
1.6 Inchi
InChI=1S/C9H12O3/c1-6-3-7(5-10)9(11)8(4-6)12-2/h3-4,10-11H,5H2,1-2H3
1.7 InChkey
BOZGGOONTTZMOI-UHFFFAOYSA-N
1.8 Canonical Smiles
CC1=CC(=C(C(=C1)OC)O)CO
1.9 Isomers Smiles
CC1=CC(=C(C(=C1)OC)O)CO
2. Synthesis Route
7452-08-6Total: 2 Synthesis Route
 
50-00-0
50-00-0 58 Suppliers
 
93-51-6
93-51-6 130 Suppliers
 
7452-08-6
7452-08-6 1 Suppliers
 
50-00-0
50-00-0 58 Suppliers
 
4383-07-7
4383-07-7 5 Suppliers
 
7452-08-6
7452-08-6 1 Suppliers
3. Precursor and Product
4. Computed Properties
  • Molecular Weight:168.18978g/mol
  • Molecular Formula:C9H12O3
  • Compound Is Canonicalized:True
  • Exact Mass:1.6
  • XLogP3-AA:168.078644241
  • Monoisotopic Mass:168.078644241
  • Complexity:138
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:49.7
  • Heavy Atom Count::12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint:AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASgmAIyBoAABgCAAiBCAAACCAAgIAAAiAAGiIgNNyKGMRqAcCMlwBELuAfAwHAOIAADAAAIQABAAAYAABCAAAAAAAAAAA==
5. Toltal 1 Suppliers View more
Tel: Update Time:2024/03/04
6. Realated Product Infomation
 
 
 
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