Basic information
- Standard SMILES
CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1)n1cncn1- InChIKey
YNWVFADWVLCOPU-UHFFFAOYSA-N- Molecular formula
- C15H18ClN3O
- Average molar mass
- 291.77 g/mol
- Monoisotopic mass
- 291.11383988
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazole-1-yl)-pentene-3-ol
- IUPAC
- 1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
Names & synonyms
DTXSID90861061Uniconazole (S 3307D)SCHEMBL1405596YNWVFADWVLCOPU-UHFFFAOYSA-Ns3660AKOS030242861DB-056732NS001269831-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)-4,4-dimethyl-1-penten-3-ol1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)-4,4-dimethyl-1-penten-3ol1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazole-1-yl)-1-pentene-3-ol1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazole-1-yl)-pentene-3-ol
Show more names
1-p-chlorophenyl-4,4-dimethyl-2-(1,2,4-triazole-1-yl)-1-pentene-3-ol1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol
Database identifiers
- PubChem CID
- 91737
- DTXSID
DTXSID90861061
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Related reactions
19 records
Compound notes
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