methyl 2-methoxy-5-(tetrazol-1-ylmethyl)benzoate

C11H12N4O3 — CID 18465024

IUPACmethyl 2-methoxy-5-(tetrazol-1-ylmethyl)benzoate
SMILESCOC(=O)c1cc(Cn2cnnn2)ccc1OC
InChIInChI=1S/C11H12N4O3/c1-17-10-4-3-8(5-9(10)11(16)18-2)6-15-7-12-13-14-15/h3-5,7H,6H2,1-2H3
InChIKeySEFNSUHILKQFTJ-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.52
Rot. Bonds4

About methyl 2-methoxy-5-(tetrazol-1-ylmethyl)benzoate

methyl 2-methoxy-5-(tetrazol-1-ylmethyl)benzoate (PubChem CID 18465024) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is methyl 2-methoxy-5-(tetrazol-1-ylmethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-(tetrazol-1-ylmethyl)benzoate
PubChem CID18465024
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Namemethyl 2-methoxy-5-(tetrazol-1-ylmethyl)benzoate
SMILESCOC(=O)c1cc(Cn2cnnn2)ccc1OC
InChIInChI=1S/C11H12N4O3/c1-17-10-4-3-8(5-9(10)11(16)18-2)6-15-7-12-13-14-15/h3-5,7H,6H2,1-2H3
InChIKeySEFNSUHILKQFTJ-UHFFFAOYSA-N
XLogP0.52
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-(tetrazol-1-ylmethyl)benzoate?
The IUPAC name of methyl 2-methoxy-5-(tetrazol-1-ylmethyl)benzoate (CID 18465024) is methyl 2-methoxy-5-(tetrazol-1-ylmethyl)benzoate.
What is the SMILES notation for methyl 2-methoxy-5-(tetrazol-1-ylmethyl)benzoate?
The canonical SMILES for methyl 2-methoxy-5-(tetrazol-1-ylmethyl)benzoate is COC(=O)c1cc(Cn2cnnn2)ccc1OC.
What is the InChIKey of methyl 2-methoxy-5-(tetrazol-1-ylmethyl)benzoate?
The InChIKey is SEFNSUHILKQFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-17-10-4-3-8(5-9(10)11(16)18-2)6-15-7-12-13-14-15/h3-5,7H,6H2,1-2H3.
What are the key properties of methyl 2-methoxy-5-(tetrazol-1-ylmethyl)benzoate?
methyl 2-methoxy-5-(tetrazol-1-ylmethyl)benzoate has a molecular weight of 248.24 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-(tetrazol-1-ylmethyl)benzoate is sourced from PubChem (CID 18465024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).