Isorhapontigenin

C₁₅H₁₄O₄CAS 32507-66-7258.27 g/mol

Open in Covalent MOL file

Alkene Ether Phenol

Properties

Molecular formula: C₁₅H₁₄O₄
Molar mass: 258.27 g/mol
Exact mass: 258.0892 Da
Melting point: 182 °C
logP: 2.98Crippen estimate
Polar surface area: 69.9 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 3
Double bonds: EE/Z, in SMILES order

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage97.5% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

32507-66-7

SMILES

COc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O

InChIKey

ANNNBEZJTNCXHY-NSCUHMNNSA-N

InChI

InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(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

7 names

1,3-Benzenediol, 5-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-
3,4′,5-Stilbenetriol, 3′-methoxy-, (E)-
1,3-Benzenediol, 5-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-, (E)-
5-[(1E)-2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-1,3-benzenediol
Isorhapotogenin
Isorhapotigenin
3′-Methoxyresveratrol

Work with Isorhapontigenin

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

Isoeugenol97-54-169 % similar Piceatannol10083-24-662 % similar Coniferyl alcohol458-35-562 % similar Coniferyl aldehyde458-36-662 % similar 4-Methoxyresveratrol33626-08-361 % similar Vanillin121-33-559 % similar 2-Methoxy-4-vinylphenol7786-61-059 % similar Combretastatin A-4117048-59-659 % 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 Menbutone3562-99-0 (4-(Phenylmethoxy)phenoxy)acetic acid38559-92-1 2,4-Dimethoxy-4'-hydroxybenzophenone41351-30-8 Yangonin500-62-9 Rhapontigenin500-65-2

Elsewhere

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