3,5-Dimethoxyphenol
Properties
- Molecular formula
- C8H10O3
- Molar mass
- 154.16 g/mol
- Exact mass
- 154.0630 Da
- Melting point
- 37 °C
- Boiling point
- 199 °C
- logP
- 1.41Crippen estimate
- Polar surface area
- 38.7 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation99.4% of notifiers
Aggregated from 162 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
500-99-2SMILES
COc1cc(O)cc(OC)c1InChIKey
XQDNFAMOIPNVES-UHFFFAOYSA-NInChI
InChI=1S/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Phenol, 3,5-dimethoxy-
- Phloroglucinol dimethyl ether
- Taxicatigenin
- 1-Hydroxy-3,5-dimethoxybenzene
- NSC 70955
Work with 3,5-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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
5-Methoxyresorcinol2174-64-389 % similar
3-Methoxy-5-methylphenol3209-13-071 % similar
3-Chloro-5-methoxyphenol65262-96-668 % similar
1,3,5-Trimethoxybenzene621-23-867 % similar
3-Methoxyphenol150-19-660 % similar
Pinostilbene42438-89-157 % similar
4-Methoxyphenol150-76-557 % similar
Pterostilbene537-42-855 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.