2,3,4-Trimethoxy-6-methylphenol

C₁₀H₁₄O₄CAS 39068-88-7198.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₄O₄
Molar mass: 198.22 g/mol
Exact mass: 198.0892 Da
logP: 1.73Crippen estimate
Polar surface area: 47.9 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

39068-88-7

SMILES

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

InChIKey

UGNJWQMNCJYWHG-UHFFFAOYSA-N

InChI

InChI=1S/C10H14O4/c1-6-5-7(12-2)9(13-3)10(14-4)8(6)11/h5,11H,1-4H3

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Work with 2,3,4-Trimethoxy-6-methylphenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3-Dimethoxy-5-methyl-1,4-benzenediol3066-90-867 % similar 2,3,4,5-Tetramethoxytoluene35896-58-364 % similar Chrysoobtusin70588-06-657 % similar Obtusin70588-05-552 % similar 2,3,4-Trimethoxy-6-methylbenzaldehyde22383-85-351 % similar 3,4,5-Trimethoxyphenol642-71-750 % similar 4-Methylsyringol6638-05-748 % similar 3,4,5-Trimethoxytoluene6443-69-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,3-Bis(2-hydroxyethoxy)benzene102-40-9 Hydroquinone bis(2-hydroxyethyl) ether104-38-1 1,4-Butylene glycol diacrylate1070-70-8 4-Butyroxy-2,5-dimethyl-3(2H)-furanone114099-96-6 (1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid13429-83-9 Polyethylene glycol dimethacrylate25852-47-5 3,4,5-Trimethoxybenzyl alcohol3840-31-1 Divinyl adipate4074-90-2

Elsewhere

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