Rhapontigenin

C15H14O4CAS 500-65-2258.27 g/mol

Open in Covalent MOL file
OOHOHHO
AlkeneEtherPhenol

Properties

Molecular formula
C15H14O4
Molar mass
258.27 g/mol
Exact mass
258.0892 Da
Melting point
180–181 °C
logP
2.98Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
3
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
500-65-2
SMILES
COc1ccc(/C=C/c2cc(O)cc(O)c2)cc1O
InChIKey
PHMHDRYYFAYWEG-NSCUHMNNSA-N
InChI
InChI=1S/C15H14O4/c1-19-15-5-4-10(8-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+

Weigh it out

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

Names and synonyms

9 names
  • 1,3-Benzenediol, 5-[(1E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-
  • 3,3′,5-Stilbenetriol, 4′-methoxy-, (E)-
  • 1,3-Benzenediol, 5-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]-, (E)-
  • 5-[(1E)-2-(3-Hydroxy-4-methoxyphenyl)ethenyl]-1,3-benzenediol
  • Pontigenin
  • Prontigenin
  • Protigenin
  • Rhapontin genin
  • Rhapontin aglycone

Work with Rhapontigenin

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

Combretastatin A-4117048-59-672 % similar Piceatannol10083-24-662 % similar 4-Methoxyresveratrol33626-08-361 % similar Isovanillin621-59-059 % similar Isoferulic acid537-73-557 % similar Rhaponticin155-58-856 % similar 5-Bromo-2-methoxyphenol37942-01-156 % similar Pinostilbene42438-89-154 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3′,4′-Dimethoxy[1,1′-biphenyl]-4-carboxylic acid122294-10-4 4-(Benzyloxy)-3-methoxybenzoic acid1486-53-9 Murrayone19668-69-0 Isorhapontigenin32507-66-7 Menbutone3562-99-0 (4-(Phenylmethoxy)phenoxy)acetic acid38559-92-1 2,4-Dimethoxy-4'-hydroxybenzophenone41351-30-8 Yangonin500-62-9

Elsewhere

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