4-(2-methoxyphenyl)-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole

C24H33N3O — CID 25258924

IUPAC4-(2-methoxyphenyl)-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole
SMILESCOc1ccccc1-c1cn(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)nn1
InChIInChI=1S/C24H33N3O/c1-19(2)10-8-11-20(3)12-9-13-21(4)16-17-27-18-23(25-26-27)22-14-6-7-15-24(22)28-5/h6-7,10,12,14-16,18H,8-9,11,13,17H2,1-5H3/b20-12+,21-16+
InChIKeyPNMPIWHABOZGAU-FJNYLYSMSA-N
MW379.55 g/mol
LogP6.37
Rot. Bonds10

About 4-(2-methoxyphenyl)-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole

4-(2-methoxyphenyl)-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole (PubChem CID 25258924) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole
PubChem CID25258924
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name4-(2-methoxyphenyl)-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole
SMILESCOc1ccccc1-c1cn(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)nn1
InChIInChI=1S/C24H33N3O/c1-19(2)10-8-11-20(3)12-9-13-21(4)16-17-27-18-23(25-26-27)22-14-6-7-15-24(22)28-5/h6-7,10,12,14-16,18H,8-9,11,13,17H2,1-5H3/b20-12+,21-16+
InChIKeyPNMPIWHABOZGAU-FJNYLYSMSA-N
XLogP6.37
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-methoxyphenyl)-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole with MolForge

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

Launch Full Analysis

Related Compounds

(2E)-3,7-dimethylocta-2,6-dien-1-ol;2-methoxyphenol
CID 174793032
[1-phosphono-2-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazol-4-yl]ethyl]phosphonic acid
CID 71521672
1-[2-[4-(2-methoxyphenyl)triazol-1-yl]ethyl]pyrrolidine-2,5-dione
CID 167764428
[1-[1-[(2Z)-3,7-dimethylocta-2,6-dienyl]triazol-4-yl]-2-phosphonatopropan-2-yl]-dioxido-oxo-λ5-phosphane
CID 172637931
2-[[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazol-4-yl]methylsulfanyl]benzoic acid
CID 155566415
[1-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]triazol-4-yl]-2-methylpropan-2-yl]phosphane
CID 142463331
4-(2-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]triazole
CID 146140960
tetrasodium;[2-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]triazol-4-yl]-1-fluoro-1-phosphonatoethyl]-dioxido-oxo-λ5-phosphane
CID 164629185
[2-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]triazol-4-yl]-1-phosphonatoethyl]-dioxido-oxo-λ5-phosphane
CID 176731604
2,3-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]naphthalene-1,4-dione
CID 53363554
1-hydroxy-3,10-dimethoxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-11H-benzo[b][1,4]benzodiazepin-6-one
CID 10345475
1-(3-methoxyphenyl)-4-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]methyl]triazole
CID 53318797

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole?
The IUPAC name of 4-(2-methoxyphenyl)-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole (CID 25258924) is 4-(2-methoxyphenyl)-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole?
The canonical SMILES for 4-(2-methoxyphenyl)-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole is COc1ccccc1-c1cn(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)nn1.
What is the InChIKey of 4-(2-methoxyphenyl)-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole?
The InChIKey is PNMPIWHABOZGAU-FJNYLYSMSA-N. The full InChI is InChI=1S/C24H33N3O/c1-19(2)10-8-11-20(3)12-9-13-21(4)16-17-27-18-23(25-26-27)22-14-6-7-15-24(22)28-5/h6-7,10,12,14-16,18H,8-9,11,13,17H2,1-5H3/b20-12+,21-16+.
What are the key properties of 4-(2-methoxyphenyl)-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole?
4-(2-methoxyphenyl)-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole has a molecular weight of 379.55 g/mol, XLogP of 6.37, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole is sourced from PubChem (CID 25258924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).