Resveratrol trimethyl ether

C₁₇H₁₈O₃CAS 22255-22-7270.33 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₇H₁₈O₃
Molar mass: 270.33 g/mol
Exact mass: 270.1256 Da
Melting point: 55–57 °C
logP: 3.88Crippen estimate
Polar surface area: 27.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5
Double bonds: EE/Z, in SMILES order

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

22255-22-7

SMILES

COc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1

InChIKey

GDHNBPHYVRHYCC-SNAWJCMRSA-N

InChI

InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+

Weigh it out

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

Names and synonyms

15 names · show all

Benzene, 1,3-dimethoxy-5-[(1E)-2-(4-methoxyphenyl)ethenyl]-
Stilbene, 3,4′,5-trimethoxy-, (E)-
Benzene, 1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethenyl]-, (E)-
1,3-Dimethoxy-5-[(1E)-2-(4-methoxyphenyl)ethenyl]benzene
3,4′,5-Trimethoxy-trans-stilbene
Tri-O-methylresveratrol
(E)-3,5,4′-Trimethoxystilbene
3,5,4′-Trimethoxy-trans-stilbene
(E)-1-(4-Methoxyphenyl)-2-(3,5-dimethoxyphenyl)ethene
(E)-2-(3,5-Dimethoxyphenyl)-1-(4-methoxyphenyl)ethene
(E)-1,3-Dimethoxy-5-(4-methoxystyryl)benzene
(E)-3,4′,5-Trimethoxystilbene
trans-Trimethoxyresveratrol
BTM 0512
Trismethoxyresveratrol

Work with Resveratrol trimethyl ether

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

Photoanethole15638-14-978 % similar trans-3,5-Dimethoxystilbene21956-56-974 % similar Pterostilbene537-42-872 % similar 4-Methoxystilbene1142-15-067 % similar 4-Methoxyresveratrol33626-08-367 % similar Anethole104-46-163 % similar Anethole4180-23-863 % similar Pinostilbene42438-89-163 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methoxy-5-methyl-β-phenylbenzenepropanoic acid109089-77-2 4-(4-Phenylbutoxy)benzoic acid30131-16-9 2,4-Dihydroxy-5-tert-butylbenzophenone4211-67-0

Elsewhere

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