chempirical

Magnolol

C18H18O2CAS 528-43-8266.34 g/mol

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OHHO
AlkenePhenol

Properties

Molecular formula
C18H18O2
Molar mass
266.34 g/mol
Exact mass
266.1307 Da
Melting point
103 °C
Boiling point
178–180 °C (at 1 Torr)
logP
4.22Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
5

Identifiers

CAS number
528-43-8
SMILES
C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1
InChIKey
VVOAZFWZEDHOOU-UHFFFAOYSA-N
InChI
InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2

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Names and synonyms

8 names
  • [1,1′-Biphenyl]-2,2′-diol, 5,5′-di-2-propen-1-yl-
  • 2,2′-Bichavicol
  • 2,2′-Biphenyldiol, 5,5′-diallyl-
  • [1,1′-Biphenyl]-2,2′-diol, 5,5′-di-2-propenyl-
  • 5,5′-Di-2-propen-1-yl[1,1′-biphenyl]-2,2′-diol
  • 5,5′-Diallyl-2,2′-biphenyldiol
  • NSC 293099
  • 2-(2-Hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol

Work with Magnolol

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

Hydroxychavicol1126-61-078 % similar Chavicol501-92-855 % similar 2-Allyl-4-chlorophenol13997-73-449 % similar Safrole94-59-747 % similar 2-Allylphenol1745-81-947 % similar Methyl eugenol93-15-246 % similar Phenylpropene300-57-245 % similar O,O′-Diallylbisphenol A1745-89-745 % similar

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

Same formula

1,6-Diphenyl-1,6-hexanedione3375-38-0 Honokiol35354-74-6 Dienestrol84-17-3

Elsewhere

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