1-[2-(4-allyl-2-methoxyphenoxy)ethyl]-1H-1,2,4-triazole
Basic information
- CAS
695156-99-1- Standard SMILES
C=CCc1ccc(OCCn2cncn2)c(OC)c1- InChIKey
WVEFJODIAKPNEV-UHFFFAOYSA-N- Molecular formula
- C14H17N3O2
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.13207679
Names & identifiers
- Preferred name
- 1-[2-(4-allyl-2-methoxyphenoxy)ethyl]-1H-1,2,4-triazole
- IUPAC
- 1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-1,2,4-triazole
Names & synonyms
695156-99-11-[2-(4-allyl-2-methoxyphenoxy)ethyl]-1H-1,2,4-triazole1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-1,2,4-triazoleMLS000974283CHEMBL1715380DTXSID001320425HMS2828L14AKOS032999415SMR000497841SR-01000270973SR-01000270973-1Z1037336550
Show more names
1-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethyl}-1H-1,2,4-triazole
Database identifiers
- CAS
695156-99-1- PubChem CID
- 976171
- DTXSID
DTXSID001320425- ChEMBL
CHEMBL1715380
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 275
Experimental & physicochemical properties
Solubility18 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…