Magnolol

C₁₈H₁₈O₂CAS 528-43-8266.34 g/mol

Open in Covalent MOL file

Alkene Phenol

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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 5

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage64.9% of notifiers
H319 Causes serious eye irritation35.1% of notifiers
H335 May cause respiratory irritation64.9% of notifiers
H411 Toxic to aquatic life with long lasting effects64.9% of notifiers

Aggregated from 74 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

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

Weigh it out

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

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 Eugenol97-53-062 % 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

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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