chempirical

3,5-Dimethoxybenzenemethanol

C9H12O3CAS 705-76-0168.19 g/mol

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Properties

Molecular formula
C9H12O3
Molar mass
168.19 g/mol
Exact mass
168.0786 Da
Melting point
47–48 °C
Boiling point
132 °C (at 18 Torr)
logP
1.20Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
705-76-0
SMILES
COc1cc(CO)cc(OC)c1
InChIKey
AUDBREYGQOXIFT-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O3/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5,10H,6H2,1-2H3

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

Names and synonyms

4 names
  • Benzenemethanol, 3,5-dimethoxy-
  • Benzyl alcohol, 3,5-dimethoxy-
  • 3,5-Dimethoxybenzyl alcohol
  • (3,5-Dimethoxyphenyl)methanol

Work with 3,5-Dimethoxybenzenemethanol

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

3-Methoxybenzyl alcohol6971-51-364 % similar Anisyl alcohol105-13-562 % similar 3,4,5-Trimethoxybenzyl alcohol3840-31-157 % similar 1,3,5-Trimethoxybenzene621-23-857 % similar 3,5-Dimethoxybenzyl bromide877-88-356 % similar Syringyl alcohol530-56-355 % similar (3,5-Dimethoxyphenyl)acetic acid4670-10-450 % similar 3,5-Dimethoxyphenol500-99-250 % similar

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

Same formula

Ethyl 2-furanpropanoate10031-90-0 1,2,4-Trimethoxybenzene135-77-3 Rikacid mh19438-60-9 Homovanillyl alcohol2380-78-1 2,5-Dimethoxybenzyl alcohol33524-31-1 3-Phenoxy-1,2-propanediol538-43-2 2,3-Dimethoxybenzyl alcohol5653-67-8 8-Oxaspiro[4.5]decane-7,9-dione5662-95-3

Elsewhere

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