5-methoxy-1-[2-(methoxymethyl)-3-methylphenyl]tetrazole

C11H14N4O2 — CID 169006829

IUPAC5-methoxy-1-[2-(methoxymethyl)-3-methylphenyl]tetrazole
SMILESCOCc1c(C)cccc1-n1nnnc1OC
InChIInChI=1S/C11H14N4O2/c1-8-5-4-6-10(9(8)7-16-2)15-11(17-3)12-13-14-15/h4-6H,7H2,1-3H3
InChIKeyJOOLBLSCDHQICZ-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.13
Rot. Bonds4

About 5-methoxy-1-[2-(methoxymethyl)-3-methylphenyl]tetrazole

5-methoxy-1-[2-(methoxymethyl)-3-methylphenyl]tetrazole (PubChem CID 169006829) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-methoxy-1-[2-(methoxymethyl)-3-methylphenyl]tetrazole.

Molecular Properties

Compound Name5-methoxy-1-[2-(methoxymethyl)-3-methylphenyl]tetrazole
PubChem CID169006829
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name5-methoxy-1-[2-(methoxymethyl)-3-methylphenyl]tetrazole
SMILESCOCc1c(C)cccc1-n1nnnc1OC
InChIInChI=1S/C11H14N4O2/c1-8-5-4-6-10(9(8)7-16-2)15-11(17-3)12-13-14-15/h4-6H,7H2,1-3H3
InChIKeyJOOLBLSCDHQICZ-UHFFFAOYSA-N
XLogP1.13
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[2-(methoxymethyl)-3-methylphenyl]tetrazole?
The IUPAC name of 5-methoxy-1-[2-(methoxymethyl)-3-methylphenyl]tetrazole (CID 169006829) is 5-methoxy-1-[2-(methoxymethyl)-3-methylphenyl]tetrazole.
What is the SMILES notation for 5-methoxy-1-[2-(methoxymethyl)-3-methylphenyl]tetrazole?
The canonical SMILES for 5-methoxy-1-[2-(methoxymethyl)-3-methylphenyl]tetrazole is COCc1c(C)cccc1-n1nnnc1OC.
What is the InChIKey of 5-methoxy-1-[2-(methoxymethyl)-3-methylphenyl]tetrazole?
The InChIKey is JOOLBLSCDHQICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-8-5-4-6-10(9(8)7-16-2)15-11(17-3)12-13-14-15/h4-6H,7H2,1-3H3.
What are the key properties of 5-methoxy-1-[2-(methoxymethyl)-3-methylphenyl]tetrazole?
5-methoxy-1-[2-(methoxymethyl)-3-methylphenyl]tetrazole has a molecular weight of 234.26 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[2-(methoxymethyl)-3-methylphenyl]tetrazole is sourced from PubChem (CID 169006829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).