(2-methylphenyl)methyl 1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxylate

C20H21N3O3 — CID 27375313

IUPAC(2-methylphenyl)methyl 1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxylate
SMILESCCOc1ccccc1-n1nnc(C(=O)OCc2ccccc2C)c1C
InChIInChI=1S/C20H21N3O3/c1-4-25-18-12-8-7-11-17(18)23-15(3)19(21-22-23)20(24)26-13-16-10-6-5-9-14(16)2/h5-12H,4,13H2,1-3H3
InChIKeyUPDACWWRJJTQEA-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.64
Rot. Bonds6

About (2-methylphenyl)methyl 1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxylate

(2-methylphenyl)methyl 1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxylate (PubChem CID 27375313) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (2-methylphenyl)methyl 1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxylate.

Molecular Properties

Compound Name(2-methylphenyl)methyl 1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxylate
PubChem CID27375313
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(2-methylphenyl)methyl 1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxylate
SMILESCCOc1ccccc1-n1nnc(C(=O)OCc2ccccc2C)c1C
InChIInChI=1S/C20H21N3O3/c1-4-25-18-12-8-7-11-17(18)23-15(3)19(21-22-23)20(24)26-13-16-10-6-5-9-14(16)2/h5-12H,4,13H2,1-3H3
InChIKeyUPDACWWRJJTQEA-UHFFFAOYSA-N
XLogP3.64
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-fluorophenyl)methyl 1-(2-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 27374997
N-(2-ethoxy-6-methylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 127046482
(2-methylphenyl)methyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 42585439
1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 6493760
ethyl 1-(3-chloro-2-methylphenyl)-5-methyltriazole-4-carboxylate
CID 43836315
1-(2-ethoxyphenyl)-5-ethyltriazole-4-carboxylic acid
CID 53335498
1-(2-ethoxyphenyl)-5-methyl-N-(2-pyrazin-2-ylethyl)triazole-4-carboxamide
CID 46971316
1-[1-(2-ethylphenyl)-5-methyltriazol-4-yl]ethanone
CID 43671062
[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl 1-(4-fluorophenyl)-5-methyltriazole-4-carboxylate
CID 50763839
ethyl 5-methyl-1-[2-(4-methylphenyl)selanylphenyl]triazole-4-carboxylate
CID 102311931
5-cyclobutyl-1-(2-ethoxyphenyl)triazole-4-carboxylic acid
CID 82201408
ethyl 1-(2-chlorophenyl)-4-[(2-methylphenyl)methoxy]-6-oxopyridazine-3-carboxylate
CID 7588622

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methyl 1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxylate?
The IUPAC name of (2-methylphenyl)methyl 1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxylate (CID 27375313) is (2-methylphenyl)methyl 1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxylate.
What is the SMILES notation for (2-methylphenyl)methyl 1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxylate?
The canonical SMILES for (2-methylphenyl)methyl 1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxylate is CCOc1ccccc1-n1nnc(C(=O)OCc2ccccc2C)c1C.
What is the InChIKey of (2-methylphenyl)methyl 1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxylate?
The InChIKey is UPDACWWRJJTQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-4-25-18-12-8-7-11-17(18)23-15(3)19(21-22-23)20(24)26-13-16-10-6-5-9-14(16)2/h5-12H,4,13H2,1-3H3.
What are the key properties of (2-methylphenyl)methyl 1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxylate?
(2-methylphenyl)methyl 1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxylate has a molecular weight of 351.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)methyl 1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxylate is sourced from PubChem (CID 27375313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).