4-[(2-chlorophenoxy)methyl]-1-(4-methoxyphenyl)triazole

C16H14ClN3O2 — CID 132505109

IUPAC4-[(2-chlorophenoxy)methyl]-1-(4-methoxyphenyl)triazole
SMILESCOc1ccc(-n2cc(COc3ccccc3Cl)nn2)cc1
InChIInChI=1S/C16H14ClN3O2/c1-21-14-8-6-13(7-9-14)20-10-12(18-19-20)11-22-16-5-3-2-4-15(16)17/h2-10H,11H2,1H3
InChIKeyUSUZMAZBDUYFJU-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.51
Rot. Bonds5

About 4-[(2-chlorophenoxy)methyl]-1-(4-methoxyphenyl)triazole

4-[(2-chlorophenoxy)methyl]-1-(4-methoxyphenyl)triazole (PubChem CID 132505109) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-1-(4-methoxyphenyl)triazole.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]-1-(4-methoxyphenyl)triazole
PubChem CID132505109
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name4-[(2-chlorophenoxy)methyl]-1-(4-methoxyphenyl)triazole
SMILESCOc1ccc(-n2cc(COc3ccccc3Cl)nn2)cc1
InChIInChI=1S/C16H14ClN3O2/c1-21-14-8-6-13(7-9-14)20-10-12(18-19-20)11-22-16-5-3-2-4-15(16)17/h2-10H,11H2,1H3
InChIKeyUSUZMAZBDUYFJU-UHFFFAOYSA-N
XLogP3.51
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]-1-(4-methoxyphenyl)triazole?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]-1-(4-methoxyphenyl)triazole (CID 132505109) is 4-[(2-chlorophenoxy)methyl]-1-(4-methoxyphenyl)triazole.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-1-(4-methoxyphenyl)triazole?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-1-(4-methoxyphenyl)triazole is COc1ccc(-n2cc(COc3ccccc3Cl)nn2)cc1.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-1-(4-methoxyphenyl)triazole?
The InChIKey is USUZMAZBDUYFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-21-14-8-6-13(7-9-14)20-10-12(18-19-20)11-22-16-5-3-2-4-15(16)17/h2-10H,11H2,1H3.
What are the key properties of 4-[(2-chlorophenoxy)methyl]-1-(4-methoxyphenyl)triazole?
4-[(2-chlorophenoxy)methyl]-1-(4-methoxyphenyl)triazole has a molecular weight of 315.76 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]-1-(4-methoxyphenyl)triazole is sourced from PubChem (CID 132505109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).