[1-(4-chlorophenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol

C15H11ClFN3O — CID 82200781

IUPAC[1-(4-chlorophenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol
SMILESOCc1nnn(-c2ccc(Cl)cc2)c1-c1cccc(F)c1
InChIInChI=1S/C15H11ClFN3O/c16-11-4-6-13(7-5-11)20-15(14(9-21)18-19-20)10-2-1-3-12(17)8-10/h1-8,21H,9H2
InChIKeyUKHHUNUAKNBYJF-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.22
Rot. Bonds3

About [1-(4-chlorophenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol

[1-(4-chlorophenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol (PubChem CID 82200781) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol
PubChem CID82200781
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC Name[1-(4-chlorophenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol
SMILESOCc1nnn(-c2ccc(Cl)cc2)c1-c1cccc(F)c1
InChIInChI=1S/C15H11ClFN3O/c16-11-4-6-13(7-5-11)20-15(14(9-21)18-19-20)10-2-1-3-12(17)8-10/h1-8,21H,9H2
InChIKeyUKHHUNUAKNBYJF-UHFFFAOYSA-N
XLogP3.22
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3,5-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol
CID 82198742
[5-(3-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanamine
CID 82197137
[5-(2-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanol
CID 82197077
[5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol
CID 56769387
[5-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]methanol
CID 56769403
[1-(4-chlorophenyl)-5-(furan-2-yl)triazol-4-yl]methanol
CID 82200760
1-(3-chlorophenyl)-5-(3-fluorophenyl)triazole-4-carbaldehyde
CID 82200370
[5-(3-chlorophenyl)-1-(2-ethylphenyl)triazol-4-yl]methanol
CID 94935756
[5-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanol
CID 82204046
[5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazol-4-yl]methanol
CID 94943324
[1-(3-chloro-2-methylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine
CID 94937203
4-[5-(2-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]phenol
CID 82194910

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol?
The IUPAC name of [1-(4-chlorophenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol (CID 82200781) is [1-(4-chlorophenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(4-chlorophenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(4-chlorophenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol is OCc1nnn(-c2ccc(Cl)cc2)c1-c1cccc(F)c1.
What is the InChIKey of [1-(4-chlorophenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol?
The InChIKey is UKHHUNUAKNBYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O/c16-11-4-6-13(7-5-11)20-15(14(9-21)18-19-20)10-2-1-3-12(17)8-10/h1-8,21H,9H2.
What are the key properties of [1-(4-chlorophenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol?
[1-(4-chlorophenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol has a molecular weight of 303.72 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol is sourced from PubChem (CID 82200781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).