5-(3-(2,6-Dimethylbenzyloxy)-2-methoxybenzyl)-1H-tetrazole
Basic information
- Standard SMILES
COc1c(Cc2nnn[nH]2)cccc1OCc1c(C)cccc1C- InChIKey
FAKRBAIVHKBWNT-UHFFFAOYSA-N- Molecular formula
- C18H20N4O2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.15862589
Names & identifiers
- Preferred name
- 5-(3-(2,6-Dimethylbenzyloxy)-2-methoxybenzyl)-1H-tetrazole
- IUPAC
- 5-[[3-[(2,6-dimethylphenyl)methoxy]-2-methoxyphenyl]methyl]-2H-tetrazole
Names & synonyms
SCHEMBL1233635FAKRBAIVHKBWNT-UHFFFAOYSA-N5-(3-(2,6-Dimethylbenzyloxy)-2-methoxybenzyl)-1H-tetrazole
Database identifiers
- PubChem CID
- 44480090
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 374
Related reactions
2 records
Compound notes
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