ethyl 1-[2-(3-methylphenoxy)ethyl]tetrazole-5-carboxylate

C13H16N4O3 — CID 79317699

IUPACethyl 1-[2-(3-methylphenoxy)ethyl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1CCOc1cccc(C)c1
InChIInChI=1S/C13H16N4O3/c1-3-19-13(18)12-14-15-16-17(12)7-8-20-11-6-4-5-10(2)9-11/h4-6,9H,3,7-8H2,1-2H3
InChIKeyUDGCSFHYOWUYPW-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.24
Rot. Bonds6

About ethyl 1-[2-(3-methylphenoxy)ethyl]tetrazole-5-carboxylate

ethyl 1-[2-(3-methylphenoxy)ethyl]tetrazole-5-carboxylate (PubChem CID 79317699) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is ethyl 1-[2-(3-methylphenoxy)ethyl]tetrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(3-methylphenoxy)ethyl]tetrazole-5-carboxylate
PubChem CID79317699
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Nameethyl 1-[2-(3-methylphenoxy)ethyl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1CCOc1cccc(C)c1
InChIInChI=1S/C13H16N4O3/c1-3-19-13(18)12-14-15-16-17(12)7-8-20-11-6-4-5-10(2)9-11/h4-6,9H,3,7-8H2,1-2H3
InChIKeyUDGCSFHYOWUYPW-UHFFFAOYSA-N
XLogP1.24
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-amino-1-[4-(3-methylphenoxy)butyl]triazole-4-carboxylate
CID 94945292
ethyl 1-[(3-methoxyphenyl)methyl]tetrazole-5-carboxylate
CID 79317603
propan-2-yl 5-amino-1-[2-(3-methylphenoxy)ethyl]triazole-4-carboxylate
CID 82209134
ethyl 5-amino-1-[2-(3-aminophenoxy)ethyl]triazole-4-carboxylate
CID 82222752
ethyl 1-[2-(4-methoxyphenyl)ethyl]tetrazole-5-carboxylate
CID 79318396
5-methyl-2-[2-(3-methylphenoxy)ethyl]pyrazole-3-carboxylic acid
CID 82301521
ethyl 1-(3,3-dimethylbutyl)tetrazole-5-carboxylate
CID 79317604
ethyl 1-(3-methylbutyl)tetrazole-5-carboxylate
CID 79318083
[1-[2-(3-methylphenoxy)ethyl]-5-propyltriazol-4-yl]methanamine
CID 82209115
2-(3-methylphenoxy)ethyl 1-methylpyrrole-2-carboxylate
CID 55307618
1-[2-(3-methylphenoxy)ethyl]-5-propyltriazole-4-carbaldehyde
CID 82209076
ethyl 1-(3-hydroxy-3-methylbutyl)tetrazole-5-carboxylate
CID 79355947

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(3-methylphenoxy)ethyl]tetrazole-5-carboxylate?
The IUPAC name of ethyl 1-[2-(3-methylphenoxy)ethyl]tetrazole-5-carboxylate (CID 79317699) is ethyl 1-[2-(3-methylphenoxy)ethyl]tetrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-[2-(3-methylphenoxy)ethyl]tetrazole-5-carboxylate?
The canonical SMILES for ethyl 1-[2-(3-methylphenoxy)ethyl]tetrazole-5-carboxylate is CCOC(=O)c1nnnn1CCOc1cccc(C)c1.
What is the InChIKey of ethyl 1-[2-(3-methylphenoxy)ethyl]tetrazole-5-carboxylate?
The InChIKey is UDGCSFHYOWUYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-3-19-13(18)12-14-15-16-17(12)7-8-20-11-6-4-5-10(2)9-11/h4-6,9H,3,7-8H2,1-2H3.
What are the key properties of ethyl 1-[2-(3-methylphenoxy)ethyl]tetrazole-5-carboxylate?
ethyl 1-[2-(3-methylphenoxy)ethyl]tetrazole-5-carboxylate has a molecular weight of 276.30 g/mol, XLogP of 1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(3-methylphenoxy)ethyl]tetrazole-5-carboxylate is sourced from PubChem (CID 79317699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).