Isomagnolol
Basic information
- CAS
87688-90-2- Standard SMILES
C=CCc1ccc(Oc2cc(CC=C)ccc2O)cc1- InChIKey
ROPDWYIWHWKVLI-UHFFFAOYSA-N- Molecular formula
- C18H18O2
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 266.13067981
Overview
Phenol, 4-(2-propenyl)-2-(4-(2-propenyl)phenoxy)- has been reported in Illicium simonsii, Magnolia garrettii, and other organisms with data available.
Names & identifiers
- Preferred name
- Isomagnolol
- IUPAC
- 4-prop-2-enyl-2-(4-prop-2-enylphenoxy)phenol
- English name
- ISOMAGNOLOL
- Molecular formula
- C18H18O2
- Molecular weight
- 266.33
Names & synonyms
Isomagnolol4-prop-2-enyl-2-(4-prop-2-enylphenoxy)phenolRefChem:108757987688-90-2Phenol, 4-(2-propenyl)-2-(4-(2-propenyl)phenoxy)-CHEMBL183320orb1984122SCHEMBL30069180DTXSID102365554-allyl-2-(4-allylphenoxy)phenolHY-N2564AKOS040763732
Show more names
Phenol, 4-(2-propen-1-yl)-2-[4-(2-propen-1-yl)phenoxy]-
AC-34955DA-54431Isomagnolol (Standard Reference Material)CS-00228964-(2-Propen-1-yl)-2-[4-(2-propen-1-yl)phenoxy]phenol4-(Prop-2-en-1-yl)-2-[4-(prop-2-en-1-yl)phenoxy]phenol
Database identifiers
- CAS
87688-90-2- PubChem CID
- 159137
- DTXSID
DTXSID10236555- ChEMBL
CHEMBL183320
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Boiling point
- 371.4 · 371.4±42.0 °C(Predicted)
- Density
- 1.077 · 1.077±0.06 g/cm3(Predicted)
- pka
- 9.57 · 9.57±0.43(Predicted)
Chemistry & industry
Applications
UsesIsomagnolol is a lignan with antimicrobial activity. Isomagnolol can be isolated from the root of tea plant[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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