Basic information
- Standard SMILES
CCCCC(CC)C(=O)OCc1cc(C)cc(-n2nc3ccccc3n2)c1O- InChIKey
PKOQLAJONMIVDG-UHFFFAOYSA-N- Molecular formula
- C22H27N3O3
- Average molar mass
- 381.5 g/mol
Names & identifiers
- Preferred name
- 2-Ethyl-hexanoic acid 3-(2H-benzotriazol-2-yl)-2-hydroxy-5-methyl-benzyl ester
- IUPAC
- [3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl 2-ethylhexanoate
Names & synonyms
SCHEMBL2150216PKOQLAJONMIVDG-UHFFFAOYSA-N2-Ethyl-hexanoic acid 3-(2H-benzotriazol-2-yl)-2-hydroxy-5-methyl-benzyl ester
Database identifiers
- PubChem CID
- 67296223
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 489
Related reactions
2 records
Compound notes
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