1-(4-hexylphenyl)-4-(methoxymethyl)triazole

C16H23N3O — CID 121373808

IUPAC1-(4-hexylphenyl)-4-(methoxymethyl)triazole
SMILESCCCCCCc1ccc(-n2cc(COC)nn2)cc1
InChIInChI=1S/C16H23N3O/c1-3-4-5-6-7-14-8-10-16(11-9-14)19-12-15(13-20-2)17-18-19/h8-12H,3-7,13H2,1-2H3
InChIKeyLPKZACCHNFOVJO-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.54
Rot. Bonds8

About 1-(4-hexylphenyl)-4-(methoxymethyl)triazole

1-(4-hexylphenyl)-4-(methoxymethyl)triazole (PubChem CID 121373808) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(4-hexylphenyl)-4-(methoxymethyl)triazole.

Molecular Properties

Compound Name1-(4-hexylphenyl)-4-(methoxymethyl)triazole
PubChem CID121373808
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(4-hexylphenyl)-4-(methoxymethyl)triazole
SMILESCCCCCCc1ccc(-n2cc(COC)nn2)cc1
InChIInChI=1S/C16H23N3O/c1-3-4-5-6-7-14-8-10-16(11-9-14)19-12-15(13-20-2)17-18-19/h8-12H,3-7,13H2,1-2H3
InChIKeyLPKZACCHNFOVJO-UHFFFAOYSA-N
XLogP3.54
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(5,5-dimethylhexyl)phenyl]-4-(methoxymethyl)triazole
CID 59154760
[1-(4-hexylphenyl)triazol-4-yl]methanol
CID 70928371
2-[4-(4-octyltriazol-1-yl)phenyl]ethanol
CID 72736019
1-(4-butylphenyl)-4-(chloromethyl)triazole
CID 55066853
4-hexyl-1-(4-methylphenyl)triazole
CID 102278184
4-(4-pentyltriazol-1-yl)phenol
CID 122501204
1-(4-hexylphenyl)triazole-4-carboxamide
CID 121373598
2-[1-(4-butylphenyl)triazol-4-yl]acetic acid
CID 112519149
[1-(4-propylphenyl)triazol-4-yl]methanol
CID 59667719
4-butyl-1-phenyltriazole
CID 25191665
1-decyl-4-[(4-decylphenyl)methoxymethyl]benzene
CID 154488983
1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol
CID 72736215

Frequently Asked Questions

What is the IUPAC name of 1-(4-hexylphenyl)-4-(methoxymethyl)triazole?
The IUPAC name of 1-(4-hexylphenyl)-4-(methoxymethyl)triazole (CID 121373808) is 1-(4-hexylphenyl)-4-(methoxymethyl)triazole.
What is the SMILES notation for 1-(4-hexylphenyl)-4-(methoxymethyl)triazole?
The canonical SMILES for 1-(4-hexylphenyl)-4-(methoxymethyl)triazole is CCCCCCc1ccc(-n2cc(COC)nn2)cc1.
What is the InChIKey of 1-(4-hexylphenyl)-4-(methoxymethyl)triazole?
The InChIKey is LPKZACCHNFOVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-4-5-6-7-14-8-10-16(11-9-14)19-12-15(13-20-2)17-18-19/h8-12H,3-7,13H2,1-2H3.
What are the key properties of 1-(4-hexylphenyl)-4-(methoxymethyl)triazole?
1-(4-hexylphenyl)-4-(methoxymethyl)triazole has a molecular weight of 273.38 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexylphenyl)-4-(methoxymethyl)triazole is sourced from PubChem (CID 121373808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).