4-[(4-fluorophenoxy)methyl]-1-(3,4,5-trimethoxyphenyl)triazole

C18H18FN3O4 — CID 164909536

IUPAC4-[(4-fluorophenoxy)methyl]-1-(3,4,5-trimethoxyphenyl)triazole
SMILESCOc1cc(-n2cc(COc3ccc(F)cc3)nn2)cc(OC)c1OC
InChIInChI=1S/C18H18FN3O4/c1-23-16-8-14(9-17(24-2)18(16)25-3)22-10-13(20-21-22)11-26-15-6-4-12(19)5-7-15/h4-10H,11H2,1-3H3
InChIKeyLRZWPWQNTBCFNA-UHFFFAOYSA-N
MW359.36 g/mol
LogP3.01
Rot. Bonds7

About 4-[(4-fluorophenoxy)methyl]-1-(3,4,5-trimethoxyphenyl)triazole

4-[(4-fluorophenoxy)methyl]-1-(3,4,5-trimethoxyphenyl)triazole (PubChem CID 164909536) has the molecular formula C18H18FN3O4 and a molecular weight of 359.36 g/mol. Its IUPAC name is 4-[(4-fluorophenoxy)methyl]-1-(3,4,5-trimethoxyphenyl)triazole.

Molecular Properties

Compound Name4-[(4-fluorophenoxy)methyl]-1-(3,4,5-trimethoxyphenyl)triazole
PubChem CID164909536
Molecular FormulaC18H18FN3O4
Molecular Weight359.36 g/mol
Exact Mass359.13
IUPAC Name4-[(4-fluorophenoxy)methyl]-1-(3,4,5-trimethoxyphenyl)triazole
SMILESCOc1cc(-n2cc(COc3ccc(F)cc3)nn2)cc(OC)c1OC
InChIInChI=1S/C18H18FN3O4/c1-23-16-8-14(9-17(24-2)18(16)25-3)22-10-13(20-21-22)11-26-15-6-4-12(19)5-7-15/h4-10H,11H2,1-3H3
InChIKeyLRZWPWQNTBCFNA-UHFFFAOYSA-N
XLogP3.01
TPSA67.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(4-fluorophenoxy)methyl]-1-(3,4,5-trimethoxyphenyl)triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenoxy)methyl]-1-(3,4,5-trimethoxyphenyl)triazole?
The IUPAC name of 4-[(4-fluorophenoxy)methyl]-1-(3,4,5-trimethoxyphenyl)triazole (CID 164909536) is 4-[(4-fluorophenoxy)methyl]-1-(3,4,5-trimethoxyphenyl)triazole.
What is the SMILES notation for 4-[(4-fluorophenoxy)methyl]-1-(3,4,5-trimethoxyphenyl)triazole?
The canonical SMILES for 4-[(4-fluorophenoxy)methyl]-1-(3,4,5-trimethoxyphenyl)triazole is COc1cc(-n2cc(COc3ccc(F)cc3)nn2)cc(OC)c1OC.
What is the InChIKey of 4-[(4-fluorophenoxy)methyl]-1-(3,4,5-trimethoxyphenyl)triazole?
The InChIKey is LRZWPWQNTBCFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4/c1-23-16-8-14(9-17(24-2)18(16)25-3)22-10-13(20-21-22)11-26-15-6-4-12(19)5-7-15/h4-10H,11H2,1-3H3.
What are the key properties of 4-[(4-fluorophenoxy)methyl]-1-(3,4,5-trimethoxyphenyl)triazole?
4-[(4-fluorophenoxy)methyl]-1-(3,4,5-trimethoxyphenyl)triazole has a molecular weight of 359.36 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenoxy)methyl]-1-(3,4,5-trimethoxyphenyl)triazole is sourced from PubChem (CID 164909536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).