Basic information
- CAS
88670-77-3- Standard SMILES
c1ccc(COc2ccc(OCCn3cncn3)cc2)cc1- InChIKey
PJVFZNGGGHCROQ-UHFFFAOYSA-N- Molecular formula
- C17H17N3O2
- Average molar mass
- 295.34 g/mol
- Monoisotopic mass
- 295.13207679
Overview
1-[2-(4-phenylmethoxyphenoxy)ethyl]-1,2,4-triazole is an aromatic ether.
Names & identifiers
- Preferred name
- 1-[2-(4-Phenylmethoxyphenoxy)ethyl]-1,2,4-triazole
- IUPAC
- 1-[2-(4-phenylmethoxyphenoxy)ethyl]-1,2,4-triazole
Names & synonyms
88670-77-31-[2-(4-phenylmethoxyphenoxy)ethyl]-1,2,4-triazole1H-1,2,4-Triazole, 1-[2-[4-(phenylmethoxy)phenoxy]ethyl]-1-{2-[4-(benzyloxy)phenoxy]ethyl}-1H-1,2,4-triazoleMLS000063592HMS2312N03CHEMBL1529779DTXSID10359617CHEBI:107853AKOS032999407SMR000075191SR-01000271170
Show more names
SR-01000271170-1Q27186193Z1037336524
Database identifiers
- CAS
88670-77-3- PubChem CID
- 976289
- DTXSID
DTXSID10359617- ChEMBL
CHEMBL1529779- ChEBI
CHEBI:107853
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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