CHEBI:83748 - 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
ChEBI ID CHEBI:83748
ChEBI ASCII Name 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Definition A tertiary alcohol that is butan-2-ol substituted by a 4-chlorophenyl group at position 2, a cyclopropyl group at position 3 and a 1H-1,2,4-triazol-1-yl group at position 1.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H18ClN3O
Net Charge 0
Average Mass 291.77600
Monoisotopic Mass 291.11384
InChI InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3
InChIKey UFNOUKDBUJZYDE-UHFFFAOYSA-N
SMILES CC(C1CC1)C(O)(Cn1cncn1)c1ccc(Cl)cc1
ChEBI Ontology
Outgoing 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol (CHEBI:83748) is a cyclopropanes (CHEBI:51454)
2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol (CHEBI:83748) is a monochlorobenzenes (CHEBI:83403)
2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol (CHEBI:83748) is a tertiary alcohol (CHEBI:26878)
2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol (CHEBI:83748) is a triazoles (CHEBI:35727)
Incoming (2R,3R)-cyproconazole (CHEBI:83753) is a 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol (CHEBI:83748)
(2R,3S)-cyproconazole (CHEBI:83749) is a 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol (CHEBI:83748)
(2S,3R)-cyproconazole (CHEBI:83752) is a 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol (CHEBI:83748)
(2S,3S)-cyproconazole (CHEBI:83750) is a 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol (CHEBI:83748)
IUPAC Name
2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Manual Xref Database
198 PPDB
View more database links
Last Modified
14 November 2014