2,3-Dimethoxyphenol

C8H10O3CAS 5150-42-5154.16 g/mol

Open in Covalent MOL file
OOHO
EtherPhenol

Properties

Molecular formula
C8H10O3
Molar mass
154.16 g/mol
Exact mass
154.0630 Da
Boiling point
124–157 °C (at 17 Torr)
logP
1.41Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

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
5150-42-5
SMILES
COc1cccc(O)c1OC
InChIKey
QSZCGGBDNYTQHH-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O3/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5,9H,1-2H3

Weigh it out

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Names and synonyms

3 names
  • Phenol, 2,3-dimethoxy-
  • 1-Hydroxy-2,3-dimethoxybenzene
  • NSC 80659

Work with 2,3-Dimethoxyphenol

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

1,2,3-Trimethoxybenzene634-36-667 % similar Guaiacol90-05-165 % similar 3-Methoxycatechol934-00-964 % similar 2-Hydroxy-6-methoxybenzaldehyde700-44-756 % similar Syringol91-10-156 % similar 2,3-Dimethoxytoluene4463-33-655 % similar 1-Bromo-2,3-dimethoxybenzene5424-43-155 % similar 2,3-Dimethoxyaniline6299-67-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Hydroxytyrosol10597-60-1 cis-1,2-Cyclohexanedicarboxylic anhydride13149-00-3 2,5-Dimethoxyphenol18113-18-3 3,4-Dimethoxyphenol2033-89-8 (-)-trans-1,2-Cyclohexanedicarboxylic anhydride31982-85-1 2-Hydroxy-3-methoxybenzenemethanol4383-05-5 Isovanillyl alcohol4383-06-6 Vanillyl alcohol498-00-0

Elsewhere

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