Balsoxine
Basic information
- CAS
70216-32-9- Standard SMILES
COc1ccc(-c2cnc(-c3ccccc3)o2)cc1OC- InChIKey
VABIMQUXFWWAPI-UHFFFAOYSA-N- Molecular formula
- C17H15NO3
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.10519334
Overview
Balsoxine is a member of methoxybenzenes.
Names & identifiers
- Preferred name
- Balsoxine
- IUPAC
- 5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole
- English name
- 5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole
- Molecular formula
- C17H15NO3
- Molecular weight
- 0
Names & synonyms
Balsoxine5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole70216-32-9C10572Balsoxin2-Phenyl-5-(3,4-dimethoxyphenyl)oxazoleCHEBI:2989DTXSID10331973AG-G-741545-(3,4-dimethoxyphenyl)-2-phenyl-oxazoleQ27105915
Database identifiers
- CAS
70216-32-9- PubChem CID
- 442845
- DTXSID
DTXSID10331973- ChEBI
CHEBI:2989- Nikkaji
- J19.290B
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 319
Chemistry & industry
Applications
OccurrenceAmyris balsamifera yields this alkaloid. It crystallizes as colourless needles from EtOH.
Additional notes
DefinitionChEBI: Balsoxine is a member of methoxybenzenes.
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Related reactions
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Compound notes
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