4-[4-(3-fluoro-4-methylphenyl)phenoxy]-2H-triazole

C15H12FN3O — CID 160789588

IUPAC4-[4-(3-fluoro-4-methylphenyl)phenoxy]-2H-triazole
SMILESCc1ccc(-c2ccc(Oc3cn[nH]n3)cc2)cc1F
InChIInChI=1S/C15H12FN3O/c1-10-2-3-12(8-14(10)16)11-4-6-13(7-5-11)20-15-9-17-19-18-15/h2-9H,1H3,(H,17,18,19)
InChIKeyRRICXWCSPKINBZ-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.71
Rot. Bonds3

About 4-[4-(3-fluoro-4-methylphenyl)phenoxy]-2H-triazole

4-[4-(3-fluoro-4-methylphenyl)phenoxy]-2H-triazole (PubChem CID 160789588) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-[4-(3-fluoro-4-methylphenyl)phenoxy]-2H-triazole.

Molecular Properties

Compound Name4-[4-(3-fluoro-4-methylphenyl)phenoxy]-2H-triazole
PubChem CID160789588
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name4-[4-(3-fluoro-4-methylphenyl)phenoxy]-2H-triazole
SMILESCc1ccc(-c2ccc(Oc3cn[nH]n3)cc2)cc1F
InChIInChI=1S/C15H12FN3O/c1-10-2-3-12(8-14(10)16)11-4-6-13(7-5-11)20-15-9-17-19-18-15/h2-9H,1H3,(H,17,18,19)
InChIKeyRRICXWCSPKINBZ-UHFFFAOYSA-N
XLogP3.71
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(4-fluoro-3-methylphenyl)phenoxy]-2H-triazole
CID 162002409
carbon dioxide;4-(4-naphthalen-2-ylphenoxy)-2H-triazole
CID 176530149
hexakis(carbon dioxide);4-[4-(2-chlorophenyl)phenoxy]-2H-triazole;4-[4-(3-fluorophenyl)phenoxy]-2H-triazole;4-[4-(2-methylphenyl)phenoxy]-2H-triazole;4-[4-(3-methylphenyl)phenoxy]-2H-triazole;bis(4-[4-(4-methylphenyl)phenoxy]-2H-triazole)
CID 176534631
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
4-[4-(2-methylpropyl)phenoxy]-2H-triazole
CID 155653535
4-[2-[4-(3-fluoro-4-methylphenyl)phenoxy]ethyl]morpholine
CID 123641546
2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 59933450
2-(3-fluoro-4-methylphenoxy)-5-methylpyridin-4-amine
CID 107168502
[4-(3-fluoro-4-methylphenyl)phenyl] 2-methylprop-2-enoate
CID 121372601
3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyridine
CID 163831015
4-(4-fluoro-3-methylphenyl)-1H-pyrazole
CID 118018809
heptakis(carbon dioxide);4-(3-cyclohexylphenoxy)-2H-triazole;4-(3-cyclopentylphenoxy)-2H-triazole;4-[4-(4-fluoro-3-methylphenyl)phenoxy]-2H-triazole;4-(3-methylphenoxy)-2H-triazole;4-(4-pentan-2-ylphenoxy)-2H-triazole;4-(4-pentan-3-ylphenoxy)-2H-triazole;4-(4-propan-2-ylphenoxy)-2H-triazole
CID 176532500

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluoro-4-methylphenyl)phenoxy]-2H-triazole?
The IUPAC name of 4-[4-(3-fluoro-4-methylphenyl)phenoxy]-2H-triazole (CID 160789588) is 4-[4-(3-fluoro-4-methylphenyl)phenoxy]-2H-triazole.
What is the SMILES notation for 4-[4-(3-fluoro-4-methylphenyl)phenoxy]-2H-triazole?
The canonical SMILES for 4-[4-(3-fluoro-4-methylphenyl)phenoxy]-2H-triazole is Cc1ccc(-c2ccc(Oc3cn[nH]n3)cc2)cc1F.
What is the InChIKey of 4-[4-(3-fluoro-4-methylphenyl)phenoxy]-2H-triazole?
The InChIKey is RRICXWCSPKINBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-10-2-3-12(8-14(10)16)11-4-6-13(7-5-11)20-15-9-17-19-18-15/h2-9H,1H3,(H,17,18,19).
What are the key properties of 4-[4-(3-fluoro-4-methylphenyl)phenoxy]-2H-triazole?
4-[4-(3-fluoro-4-methylphenyl)phenoxy]-2H-triazole has a molecular weight of 269.28 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluoro-4-methylphenyl)phenoxy]-2H-triazole is sourced from PubChem (CID 160789588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).