Macelignan
- IUPAC name
- 4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
- Molecular formula
- C20H24O4
- Molecular weight
- 328.4 g/mol
- Exact mass
- 328.16745924 Da
- XLogP3
- 5.2
- Topological polar surface area
- 47.9 Ų
- Hydrogen-bond donors
- 1
- Hydrogen-bond acceptors
- 4
- Covalent units
- 1
- Defined stereocentres
- 2
Also known as
16 more reported names
External database identifiers
- ChEBI:CHEBI:94153
- ChEMBL:CHEMBL254071
- EPA DTXSID:DTXSID00148077
Evidence from additional scientific databases
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record
Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.
Additional source coverage and match status
| Source | Result | Checked |
|---|---|---|
| EMBL-EBI ChEBI | No exact record | 2026-08-31 |
| NIH PubChem PUG-View | Exact match | 2026-08-31 |
A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.