5-(ethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]tetrazole

C18H20N4O2 — CID 68826238

IUPAC5-(ethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]tetrazole
SMILESCCOCC1(Cc2cccc(OCc3ccccc3)c2)N=NN=N1
InChIInChI=1S/C18H20N4O2/c1-2-23-14-18(19-21-22-20-18)12-16-9-6-10-17(11-16)24-13-15-7-4-3-5-8-15/h3-11H,2,12-14H2,1H3
InChIKeyNWYMPEMDHCQZOF-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.37
Rot. Bonds8

About 5-(ethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]tetrazole

5-(ethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]tetrazole (PubChem CID 68826238) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-(ethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-(ethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]tetrazole
PubChem CID68826238
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name5-(ethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]tetrazole
SMILESCCOCC1(Cc2cccc(OCc3ccccc3)c2)N=NN=N1
InChIInChI=1S/C18H20N4O2/c1-2-23-14-18(19-21-22-20-18)12-16-9-6-10-17(11-16)24-13-15-7-4-3-5-8-15/h3-11H,2,12-14H2,1H3
InChIKeyNWYMPEMDHCQZOF-UHFFFAOYSA-N
XLogP4.37
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]tetrazole?
The IUPAC name of 5-(ethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]tetrazole (CID 68826238) is 5-(ethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]tetrazole.
What is the SMILES notation for 5-(ethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]tetrazole?
The canonical SMILES for 5-(ethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]tetrazole is CCOCC1(Cc2cccc(OCc3ccccc3)c2)N=NN=N1.
What is the InChIKey of 5-(ethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]tetrazole?
The InChIKey is NWYMPEMDHCQZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-23-14-18(19-21-22-20-18)12-16-9-6-10-17(11-16)24-13-15-7-4-3-5-8-15/h3-11H,2,12-14H2,1H3.
What are the key properties of 5-(ethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]tetrazole?
5-(ethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]tetrazole has a molecular weight of 324.38 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]tetrazole is sourced from PubChem (CID 68826238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).