1-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole

C18H20N4O4 — CID 56945990

IUPAC1-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole
SMILESCCOc1ccc(-n2nnnc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H20N4O4/c1-5-26-14-8-6-13(7-9-14)22-18(19-20-21-22)12-10-15(23-2)17(25-4)16(11-12)24-3/h6-11H,5H2,1-4H3
InChIKeyYTXQVAWZFVHZNO-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.75
Rot. Bonds7

About 1-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole

1-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole (PubChem CID 56945990) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole
PubChem CID56945990
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name1-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole
SMILESCCOc1ccc(-n2nnnc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H20N4O4/c1-5-26-14-8-6-13(7-9-14)22-18(19-20-21-22)12-10-15(23-2)17(25-4)16(11-12)24-3/h6-11H,5H2,1-4H3
InChIKeyYTXQVAWZFVHZNO-UHFFFAOYSA-N
XLogP2.75
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole?
The IUPAC name of 1-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole (CID 56945990) is 1-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole.
What is the SMILES notation for 1-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole?
The canonical SMILES for 1-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole is CCOc1ccc(-n2nnnc2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole?
The InChIKey is YTXQVAWZFVHZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-5-26-14-8-6-13(7-9-14)22-18(19-20-21-22)12-10-15(23-2)17(25-4)16(11-12)24-3/h6-11H,5H2,1-4H3.
What are the key properties of 1-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole?
1-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole has a molecular weight of 356.38 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole is sourced from PubChem (CID 56945990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).