Basic information
- Standard SMILES
Cc1cc(C(C)c2ccccc2)c(O)c(-n2nc3ccccc3n2)c1- InChIKey
BKBFOGMANCMNTF-UHFFFAOYSA-N- Molecular formula
- C21H19N3O
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.15281224
Names & identifiers
- Preferred name
- 2-(2-hydroxy-3-(alpha-methylbenzyl)-5-methylphenyl)-2H-benzotriazole
- IUPAC
- 2-(benzotriazol-2-yl)-4-methyl-6-(1-phenylethyl)phenol
Names & synonyms
SCHEMBL9183011BKBFOGMANCMNTF-UHFFFAOYSA-N2-(2-hydroxy-3-(alpha-methylbenzyl)-5-methylphenyl)-2H-benzotriazole
Database identifiers
- PubChem CID
- 19864705
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 425
Related reactions
1 records
Compound notes
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