Basic information
- Standard SMILES
CCCCC(CC)COC(=O)CCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1- InChIKey
LHHLLQVLJAUUDT-UHFFFAOYSA-N- Molecular formula
- C27H37N3O3
- Average molar mass
- 451.6 g/mol
Names & identifiers
- Preferred name
- 2-[3'-t-Butyl-5'-(2-(2-ethylhexyloxy)carbonylethyl)-2'-hydroxyphenyl)benzotriazole
- IUPAC
- 2-ethylhexyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate
Names & synonyms
SCHEMBL77808SCHEMBL38843051LHHLLQVLJAUUDT-UHFFFAOYSA-N2-[3'-t-butyl-5'-(2-(2-ethylhexyloxy)carbonylethyl)-2'-hydroxyphenyl)benzotriazole
Database identifiers
- PubChem CID
- 21885090
- Nikkaji
- J1.110.304I
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 594
Related reactions
1 records
Compound notes
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