4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]phenol

C15H9ClF3N3O — CID 155554294

IUPAC4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]phenol
SMILESOc1ccc(Cl)cc1-c1nc(-c2ccc(C(F)(F)F)cc2)n[nH]1
InChIInChI=1S/C15H9ClF3N3O/c16-10-5-6-12(23)11(7-10)14-20-13(21-22-14)8-1-3-9(4-2-8)15(17,18)19/h1-7,23H,(H,20,21,22)
InChIKeyUNDCFFFHQLZHMR-UHFFFAOYSA-N
MW339.70 g/mol
LogP4.52
Rot. Bonds2

About 4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]phenol

4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]phenol (PubChem CID 155554294) has the molecular formula C15H9ClF3N3O and a molecular weight of 339.70 g/mol. Its IUPAC name is 4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]phenol
PubChem CID155554294
Molecular FormulaC15H9ClF3N3O
Molecular Weight339.70 g/mol
Exact Mass339.04
IUPAC Name4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]phenol
SMILESOc1ccc(Cl)cc1-c1nc(-c2ccc(C(F)(F)F)cc2)n[nH]1
InChIInChI=1S/C15H9ClF3N3O/c16-10-5-6-12(23)11(7-10)14-20-13(21-22-14)8-1-3-9(4-2-8)15(17,18)19/h1-7,23H,(H,20,21,22)
InChIKeyUNDCFFFHQLZHMR-UHFFFAOYSA-N
XLogP4.52
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.70
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6E)-6-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one
CID 389407
2-(5-Phenyl-1H-[1,2,4]triazol-3-yl)-phenol
CID 677535
4-chloro-2-(1H-[1,2,4]triazol-3-yl)-phenol
CID 136163388
4-chloro-2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol
CID 135449099
4-chloro-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenol
CID 155527131
2-{3-[(E)-2-(2-chlorophenyl)ethenyl]-1H-1,2,4-triazol-5-yl}phenol
CID 5293994
4-chloro-2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135400975
2,4-dichloro-6-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135433948
2,4-dichloro-6-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135492508
2,4-dichloro-6-[3-(3,4-dimethylphenyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135987639
2,4-dichloro-6-[3-(3,4-dichlorophenyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135987646
2,4-dichloro-6-[3-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135987647

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]phenol?
The IUPAC name of 4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]phenol (CID 155554294) is 4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]phenol.
What is the SMILES notation for 4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]phenol?
The canonical SMILES for 4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]phenol is Oc1ccc(Cl)cc1-c1nc(-c2ccc(C(F)(F)F)cc2)n[nH]1.
What is the InChIKey of 4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]phenol?
The InChIKey is UNDCFFFHQLZHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3O/c16-10-5-6-12(23)11(7-10)14-20-13(21-22-14)8-1-3-9(4-2-8)15(17,18)19/h1-7,23H,(H,20,21,22).
What are the key properties of 4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]phenol?
4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]phenol has a molecular weight of 339.70 g/mol, XLogP of 4.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]phenol is sourced from PubChem (CID 155554294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).