Pinosylvin

C14H12O2CAS 22139-77-1212.25 g/mol

Open in Covalent MOL file
OHOH
AlkenePhenol

Properties

Molecular formula
C14H12O2
Molar mass
212.25 g/mol
Exact mass
212.0837 Da
Melting point
156 °C
logP
3.27Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Double bonds
EE/Z, in SMILES order

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, P501

Identifiers

CAS number
22139-77-1
SMILES
Oc1cc(O)cc(/C=C/c2ccccc2)c1
InChIKey
YCVPRTHEGLPYPB-VOTSOKGWSA-N
InChI
InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+

Weigh it out

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

Names and synonyms

8 names
  • 1,3-Benzenediol, 5-[(1E)-2-phenylethenyl]-
  • 3,5-Stilbenediol, (E)-
  • 1,3-Benzenediol, 5-(2-phenylethenyl)-, (E)-
  • 5-[(1E)-2-Phenylethenyl]-1,3-benzenediol
  • trans-3,5-Dihydroxystilbene
  • Pinosylvine
  • 3,5-Dihydroxy-trans-stilbene
  • (E)-5-Styrylbenzene-1,3-diol

Work with Pinosylvin

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

Resveratrol501-36-071 % similar cis-Resveratrol61434-67-171 % similar trans-4-Hydroxystilbene6554-98-967 % similar (E)-Stilbene103-30-057 % similar (Z)-Stilbene645-49-857 % similar Piceatannol10083-24-655 % similar 4-Methoxyresveratrol33626-08-355 % similar trans-2,3',4,5'-Tetrahydroxystilbene29700-22-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diphenylacetic acid117-34-0 4'-Methoxy-[1,1'-biphenyl]-3-carbaldehyde118350-17-7 Benzoin (organic compound)119-53-9 Benzyl benzoate120-51-4 3-(2-Methoxyphenyl)benzaldehyde122801-57-4 3-(3-Methoxyphenyl)benzaldehyde126485-58-3 2-Hydroxy-5-methylbenzophenone1470-57-1 4'-Methylbiphenyl-3-carboxylic acid147404-69-1

Elsewhere

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