Piceatannol

C₁₄H₁₂O₄CAS 10083-24-6244.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₂O₄
Molar mass: 244.25 g/mol
Exact mass: 244.0736 Da
Melting point: 215–217 °C
logP: 2.68Crippen estimate
Polar surface area: 80.9 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 2
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H332 Harmful if inhaled50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

10083-24-6

SMILES

Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1

InChIKey

CDRPUGZCRXZLFL-OWOJBTEDSA-N

InChI

InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+

Weigh it out

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Names and synonyms

8 names

1,2-Benzenediol, 4-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]-
3,3′,4,5′-Stilbenetetrol, (E)-
1,2-Benzenediol, 4-[2-(3,5-dihydroxyphenyl)ethenyl]-, (E)-
4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]-1,2-benzenediol
Astringenin
trans-3,3′,4,5′-Tetrahydroxystilbene
(E)-Piceatannol
trans-Piceatannol

Work with Piceatannol

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

Resveratrol501-36-063 % similar cis-Resveratrol61434-67-163 % similar Isorhapontigenin32507-66-762 % similar Rhapontigenin500-65-262 % similar 3′-Hydroxypterostilbene475231-21-156 % similar Pinosylvin22139-77-155 % similar Protocatechuic aldehyde139-85-550 % similar 4-Methoxyresveratrol33626-08-350 % similar

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

Same formula

Dioxybenzone131-53-3 Dimethyl 2,3-naphthalenedicarboxylate13728-34-2 4-(5-Formyl-2-furanyl)benzoic acid ethyl ester19247-87-1 2,6-Naphthalenediol diacetate22426-47-7 trans-2,3',4,5'-Tetrahydroxystilbene29700-22-9 2,6-Dimethyl 2,6-naphthalenedicarboxylate840-65-3

Elsewhere

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