3,4,5-Trimethoxyphenol

C9H12O4CAS 642-71-7184.19 g/mol

Open in Covalent MOL file
OOHOO
EtherPhenol

Properties

Molecular formula
C9H12O4
Molar mass
184.19 g/mol
Exact mass
184.0736 Da
Melting point
148 °C
logP
1.42Crippen estimate
Polar surface area
47.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
642-71-7
SMILES
COc1cc(O)cc(OC)c1OC
InChIKey
VTCDZPUMZAZMSB-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O4/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5,10H,1-3H3

Weigh it out

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

Names and synonyms

2 names
  • Phenol, 3,4,5-trimethoxy-
  • Antiarol

Work with 3,4,5-Trimethoxyphenol

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

2,6-Dimethoxyhydroquinone15233-65-567 % similar 3,4-Dimethoxyphenol2033-89-858 % similar 3,4,5-Trimethoxytoluene6443-69-256 % similar 4-Hydroxy-2,6-dimethoxybenzaldehyde22080-96-255 % similar 3,4,5-Trimethoxyaniline24313-88-054 % similar 1-Bromo-3,4,5-trimethoxybenzene2675-79-854 % similar 3,4,5-Trimethoxybenzeneboronic acid182163-96-854 % similar 3,4,5-Trimethoxybenzyl alcohol3840-31-154 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Bicyclo(2.2.1)heptane-1,4-dicarboxylic acid15544-51-1 2,4,6-Trimethoxyphenol20491-92-3 2,3-Dimethoxy-5-methyl-1,4-benzenediol3066-90-8 Syringyl alcohol530-56-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook