4-(3-ethoxyphenyl)-1-[(4-propan-2-ylphenyl)methyl]triazole

C20H23N3O — CID 166349386

IUPAC4-(3-ethoxyphenyl)-1-[(4-propan-2-ylphenyl)methyl]triazole
SMILESCCOc1cccc(-c2cn(Cc3ccc(C(C)C)cc3)nn2)c1
InChIInChI=1S/C20H23N3O/c1-4-24-19-7-5-6-18(12-19)20-14-23(22-21-20)13-16-8-10-17(11-9-16)15(2)3/h5-12,14-15H,4,13H2,1-3H3
InChIKeyLOXMEDTVDZAMFN-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.52
Rot. Bonds6

About 4-(3-ethoxyphenyl)-1-[(4-propan-2-ylphenyl)methyl]triazole

4-(3-ethoxyphenyl)-1-[(4-propan-2-ylphenyl)methyl]triazole (PubChem CID 166349386) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-(3-ethoxyphenyl)-1-[(4-propan-2-ylphenyl)methyl]triazole.

Molecular Properties

Compound Name4-(3-ethoxyphenyl)-1-[(4-propan-2-ylphenyl)methyl]triazole
PubChem CID166349386
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name4-(3-ethoxyphenyl)-1-[(4-propan-2-ylphenyl)methyl]triazole
SMILESCCOc1cccc(-c2cn(Cc3ccc(C(C)C)cc3)nn2)c1
InChIInChI=1S/C20H23N3O/c1-4-24-19-7-5-6-18(12-19)20-14-23(22-21-20)13-16-8-10-17(11-9-16)15(2)3/h5-12,14-15H,4,13H2,1-3H3
InChIKeyLOXMEDTVDZAMFN-UHFFFAOYSA-N
XLogP4.52
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol
CID 122179796
5-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]pyridin-2-amine
CID 141371516
4-(4-ethoxyphenyl)-1-[(3-methylphenyl)methyl]triazole
CID 132549186
1-benzyl-4-(3,5-dimethoxyphenyl)triazole
CID 70640912
2-[[4-(4-propan-2-ylphenyl)triazol-1-yl]methyl]pyridine
CID 177085297
1-benzyl-4-[2-(4-ethoxyphenyl)propyl]triazole
CID 112718617
2-bromo-4-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]pyridine
CID 86680800
3-[4-(3-ethoxyphenyl)triazol-1-yl]-2-fluoropyridine
CID 166328960
2-chloro-5-(3-ethoxyphenyl)pyrazine
CID 56721049
2-chloro-5-[1-[[3-(difluoromethoxy)phenyl]methyl]triazol-4-yl]pyridine
CID 72912476
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
1-benzyl-4-(3-ethynylphenyl)triazole
CID 132526695

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxyphenyl)-1-[(4-propan-2-ylphenyl)methyl]triazole?
The IUPAC name of 4-(3-ethoxyphenyl)-1-[(4-propan-2-ylphenyl)methyl]triazole (CID 166349386) is 4-(3-ethoxyphenyl)-1-[(4-propan-2-ylphenyl)methyl]triazole.
What is the SMILES notation for 4-(3-ethoxyphenyl)-1-[(4-propan-2-ylphenyl)methyl]triazole?
The canonical SMILES for 4-(3-ethoxyphenyl)-1-[(4-propan-2-ylphenyl)methyl]triazole is CCOc1cccc(-c2cn(Cc3ccc(C(C)C)cc3)nn2)c1.
What is the InChIKey of 4-(3-ethoxyphenyl)-1-[(4-propan-2-ylphenyl)methyl]triazole?
The InChIKey is LOXMEDTVDZAMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-4-24-19-7-5-6-18(12-19)20-14-23(22-21-20)13-16-8-10-17(11-9-16)15(2)3/h5-12,14-15H,4,13H2,1-3H3.
What are the key properties of 4-(3-ethoxyphenyl)-1-[(4-propan-2-ylphenyl)methyl]triazole?
4-(3-ethoxyphenyl)-1-[(4-propan-2-ylphenyl)methyl]triazole has a molecular weight of 321.42 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxyphenyl)-1-[(4-propan-2-ylphenyl)methyl]triazole is sourced from PubChem (CID 166349386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).