3′-Hydroxypterostilbene

C₁₆H₁₆O₄CAS 475231-21-1272.30 g/mol

Open in Covalent MOL file

Alkene Ether Phenol

Properties

Molecular formula: C₁₆H₁₆O₄
Molar mass: 272.30 g/mol
Exact mass: 272.1049 Da
Melting point: 112–115 °C
logP: 3.29Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4
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. Search the SDS library

Identifiers

CAS number

475231-21-1

SMILES

COc1cc(/C=C/c2ccc(O)c(O)c2)cc(OC)c1

InChIKey

UQRBFXIUUDJHSN-ONEGZZNKSA-N

InChI

InChI=1S/C16H16O4/c1-19-13-7-12(8-14(10-13)20-2)4-3-11-5-6-15(17)16(18)9-11/h3-10,17-18H,1-2H3/b4-3+

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Names and synonyms

2 names

1,2-Benzenediol, 4-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-
4-[(1E)-2-(3,5-Dimethoxyphenyl)ethenyl]-1,2-benzenediol

Work with 3′-Hydroxypterostilbene

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

Pterostilbene537-42-865 % similar Resveratrol trimethyl ether22255-22-763 % similar Pinostilbene42438-89-157 % similar Piceatannol10083-24-656 % similar trans-3,5-Dimethoxystilbene21956-56-956 % similar Combretastatin A-4117048-59-654 % similar Isorhapontigenin32507-66-754 % similar Rhapontigenin500-65-254 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Loureirin C116384-24-8 4,4'-Dimethoxybenzoin119-52-8 2-Benzyloxy-4,5-dimethoxybenzaldehyde14382-86-6 Deoxyshikonin43043-74-9 4-Methoxybenzoic acid 2-(4-hydroxyphenyl)ethyl ester87932-34-1

Elsewhere

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