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

C15H12FN3O2 — CID 155653411

IUPAC4-[4-(4-fluoro-3-methoxyphenyl)phenoxy]-2H-triazole
SMILESCOc1cc(-c2ccc(Oc3cn[nH]n3)cc2)ccc1F
InChIInChI=1S/C15H12FN3O2/c1-20-14-8-11(4-7-13(14)16)10-2-5-12(6-3-10)21-15-9-17-19-18-15/h2-9H,1H3,(H,17,18,19)
InChIKeyLZFCNTCYGAWNCZ-UHFFFAOYSA-N
MW285.28 g/mol
LogP3.41
Rot. Bonds4

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

4-[4-(4-fluoro-3-methoxyphenyl)phenoxy]-2H-triazole (PubChem CID 155653411) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 4-[4-(4-fluoro-3-methoxyphenyl)phenoxy]-2H-triazole.

Molecular Properties

Compound Name4-[4-(4-fluoro-3-methoxyphenyl)phenoxy]-2H-triazole
PubChem CID155653411
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name4-[4-(4-fluoro-3-methoxyphenyl)phenoxy]-2H-triazole
SMILESCOc1cc(-c2ccc(Oc3cn[nH]n3)cc2)ccc1F
InChIInChI=1S/C15H12FN3O2/c1-20-14-8-11(4-7-13(14)16)10-2-5-12(6-3-10)21-15-9-17-19-18-15/h2-9H,1H3,(H,17,18,19)
InChIKeyLZFCNTCYGAWNCZ-UHFFFAOYSA-N
XLogP3.41
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluoro-3-methoxyphenyl)phenoxy]-2H-triazole?
The IUPAC name of 4-[4-(4-fluoro-3-methoxyphenyl)phenoxy]-2H-triazole (CID 155653411) is 4-[4-(4-fluoro-3-methoxyphenyl)phenoxy]-2H-triazole.
What is the SMILES notation for 4-[4-(4-fluoro-3-methoxyphenyl)phenoxy]-2H-triazole?
The canonical SMILES for 4-[4-(4-fluoro-3-methoxyphenyl)phenoxy]-2H-triazole is COc1cc(-c2ccc(Oc3cn[nH]n3)cc2)ccc1F.
What is the InChIKey of 4-[4-(4-fluoro-3-methoxyphenyl)phenoxy]-2H-triazole?
The InChIKey is LZFCNTCYGAWNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-20-14-8-11(4-7-13(14)16)10-2-5-12(6-3-10)21-15-9-17-19-18-15/h2-9H,1H3,(H,17,18,19).
What are the key properties of 4-[4-(4-fluoro-3-methoxyphenyl)phenoxy]-2H-triazole?
4-[4-(4-fluoro-3-methoxyphenyl)phenoxy]-2H-triazole has a molecular weight of 285.28 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluoro-3-methoxyphenyl)phenoxy]-2H-triazole is sourced from PubChem (CID 155653411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).