3,4,5-Trimethoxybenzyl alcohol

C₁₀H₁₄O₄CAS 3840-31-1198.22 g/mol

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Properties

Molecular formula: C₁₀H₁₄O₄
Molar mass: 198.22 g/mol
Exact mass: 198.0892 Da
Density: 1.14 g/mL
Melting point: 36–38 °C
Boiling point: 145–150 °C (at 0.4 Torr)
logP: 1.20Crippen estimate
Polar surface area: 47.9 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

Identifiers

CAS number

3840-31-1

SMILES

COc1cc(CO)cc(OC)c1OC

InChIKey

QPHLRCUCFDXGLY-UHFFFAOYSA-N

InChI

InChI=1S/C10H14O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5,11H,6H2,1-3H3

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

5 names

Benzenemethanol, 3,4,5-trimethoxy-
Benzyl alcohol, 3,4,5-trimethoxy-
3,4,5-Trimethoxybenzenemethanol
NSC 53949
3,4,5-Trimethoxyphenylmethanol

Work with 3,4,5-Trimethoxybenzyl alcohol

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

Syringyl alcohol530-56-368 % similar Veratrole alcohol93-03-862 % similar 3,4,5-Trimethoxybenzylamine18638-99-859 % similar 3,4,5-Trimethoxybenzyl chloride3840-30-059 % similar 3,5-Dimethoxybenzenemethanol705-76-057 % similar Vanillyl alcohol498-00-056 % similar (4-Fluoro-3-methoxyphenyl)methanol128495-45-455 % similar 3,4,5-Trimethoxyphenol642-71-754 % 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 4,5-Dihydro-2,5-dimethyl-4-oxo-3-furanyl butanoate114099-96-6 (1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid13429-83-9 Polyethylene glycol dimethacrylate25852-47-5 Divinyl adipate4074-90-2 2,3,4-Trimethoxybenzyl alcohol71989-96-3

Elsewhere

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