5-[2-(2,4-diethoxy-5-ethylphenyl)ethyl]-1-(2-phenylethyl)tetrazole

C23H30N4O2 — CID 15128884

IUPAC5-[2-(2,4-diethoxy-5-ethylphenyl)ethyl]-1-(2-phenylethyl)tetrazole
SMILESCCOc1cc(OCC)c(CCc2nnnn2CCc2ccccc2)cc1CC
InChIInChI=1S/C23H30N4O2/c1-4-19-16-20(22(29-6-3)17-21(19)28-5-2)12-13-23-24-25-26-27(23)15-14-18-10-8-7-9-11-18/h7-11,16-17H,4-6,12-15H2,1-3H3
InChIKeyLESAIALTRTWHMD-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.06
Rot. Bonds11

About 5-[2-(2,4-diethoxy-5-ethylphenyl)ethyl]-1-(2-phenylethyl)tetrazole

5-[2-(2,4-diethoxy-5-ethylphenyl)ethyl]-1-(2-phenylethyl)tetrazole (PubChem CID 15128884) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 5-[2-(2,4-diethoxy-5-ethylphenyl)ethyl]-1-(2-phenylethyl)tetrazole.

Molecular Properties

Compound Name5-[2-(2,4-diethoxy-5-ethylphenyl)ethyl]-1-(2-phenylethyl)tetrazole
PubChem CID15128884
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name5-[2-(2,4-diethoxy-5-ethylphenyl)ethyl]-1-(2-phenylethyl)tetrazole
SMILESCCOc1cc(OCC)c(CCc2nnnn2CCc2ccccc2)cc1CC
InChIInChI=1S/C23H30N4O2/c1-4-19-16-20(22(29-6-3)17-21(19)28-5-2)12-13-23-24-25-26-27(23)15-14-18-10-8-7-9-11-18/h7-11,16-17H,4-6,12-15H2,1-3H3
InChIKeyLESAIALTRTWHMD-UHFFFAOYSA-N
XLogP4.06
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-diethoxy-5-ethylphenyl)ethyl]-1-(2-phenylethyl)tetrazole?
The IUPAC name of 5-[2-(2,4-diethoxy-5-ethylphenyl)ethyl]-1-(2-phenylethyl)tetrazole (CID 15128884) is 5-[2-(2,4-diethoxy-5-ethylphenyl)ethyl]-1-(2-phenylethyl)tetrazole.
What is the SMILES notation for 5-[2-(2,4-diethoxy-5-ethylphenyl)ethyl]-1-(2-phenylethyl)tetrazole?
The canonical SMILES for 5-[2-(2,4-diethoxy-5-ethylphenyl)ethyl]-1-(2-phenylethyl)tetrazole is CCOc1cc(OCC)c(CCc2nnnn2CCc2ccccc2)cc1CC.
What is the InChIKey of 5-[2-(2,4-diethoxy-5-ethylphenyl)ethyl]-1-(2-phenylethyl)tetrazole?
The InChIKey is LESAIALTRTWHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-4-19-16-20(22(29-6-3)17-21(19)28-5-2)12-13-23-24-25-26-27(23)15-14-18-10-8-7-9-11-18/h7-11,16-17H,4-6,12-15H2,1-3H3.
What are the key properties of 5-[2-(2,4-diethoxy-5-ethylphenyl)ethyl]-1-(2-phenylethyl)tetrazole?
5-[2-(2,4-diethoxy-5-ethylphenyl)ethyl]-1-(2-phenylethyl)tetrazole has a molecular weight of 394.52 g/mol, XLogP of 4.06, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-diethoxy-5-ethylphenyl)ethyl]-1-(2-phenylethyl)tetrazole is sourced from PubChem (CID 15128884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).