4-(3-chloro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole

C15H11ClFN3O — CID 59983923

IUPAC4-(3-chloro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole
SMILESCOc1ccc(-c2n[nH]nc2-c2cccc(F)c2)cc1Cl
InChIInChI=1S/C15H11ClFN3O/c1-21-13-6-5-10(8-12(13)16)15-14(18-20-19-15)9-3-2-4-11(17)7-9/h2-8H,1H3,(H,18,19,20)
InChIKeyVEJSFMBIOMWLGX-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.94
Rot. Bonds3

About 4-(3-chloro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole

4-(3-chloro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole (PubChem CID 59983923) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole
PubChem CID59983923
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC Name4-(3-chloro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole
SMILESCOc1ccc(-c2n[nH]nc2-c2cccc(F)c2)cc1Cl
InChIInChI=1S/C15H11ClFN3O/c1-21-13-6-5-10(8-12(13)16)15-14(18-20-19-15)9-3-2-4-11(17)7-9/h2-8H,1H3,(H,18,19,20)
InChIKeyVEJSFMBIOMWLGX-UHFFFAOYSA-N
XLogP3.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-chloro-4-methoxyphenyl)-5-fluorophenyl]methanamine
CID 114078458
(3-chloro-4-methoxyphenyl)-(3-fluorophenyl)methanol
CID 61101567
2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid
CID 53211241
4-(4-fluorophenyl)-5-(2,4,5-trimethoxyphenyl)-2H-triazole
CID 59430202
[5-(3-fluorophenyl)-2-methoxyphenyl]methanamine
CID 54911914
5-[3-(3-fluoro-4-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169403048
5-(3-fluorophenyl)-2H-triazole-4-carbaldehyde
CID 82377894
3-fluoro-1-(3-fluorophenyl)-4-methoxy-2-methylbenzene
CID 118149747
1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene
CID 175734991
[3-(3-chloro-4-methoxyphenyl)-1H-pyrazol-5-yl]methanol
CID 82049211
ethyl 5-[3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxylate
CID 169399844
ethyl 5-[3-(3-fluoro-4-methoxyphenyl)phenyl]-2H-triazole-4-carboxylate
CID 169400053

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole (CID 59983923) is 4-(3-chloro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole is COc1ccc(-c2n[nH]nc2-c2cccc(F)c2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole?
The InChIKey is VEJSFMBIOMWLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O/c1-21-13-6-5-10(8-12(13)16)15-14(18-20-19-15)9-3-2-4-11(17)7-9/h2-8H,1H3,(H,18,19,20).
What are the key properties of 4-(3-chloro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole?
4-(3-chloro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole has a molecular weight of 303.72 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole is sourced from PubChem (CID 59983923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).