3-methoxy-2-[(2-methyltetrazol-5-yl)methoxy]benzoic acid

C11H12N4O4 — CID 107040946

IUPAC3-methoxy-2-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
SMILESCOc1cccc(C(=O)O)c1OCc1nnn(C)n1
InChIInChI=1S/C11H12N4O4/c1-15-13-9(12-14-15)6-19-10-7(11(16)17)4-3-5-8(10)18-2/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyYGFARHPREPRPLJ-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.50
Rot. Bonds5

About 3-methoxy-2-[(2-methyltetrazol-5-yl)methoxy]benzoic acid

3-methoxy-2-[(2-methyltetrazol-5-yl)methoxy]benzoic acid (PubChem CID 107040946) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 3-methoxy-2-[(2-methyltetrazol-5-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-methoxy-2-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
PubChem CID107040946
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name3-methoxy-2-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
SMILESCOc1cccc(C(=O)O)c1OCc1nnn(C)n1
InChIInChI=1S/C11H12N4O4/c1-15-13-9(12-14-15)6-19-10-7(11(16)17)4-3-5-8(10)18-2/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyYGFARHPREPRPLJ-UHFFFAOYSA-N
XLogP0.50
TPSA99.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-6-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107341596
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxybenzoic acid
CID 61497419
3-methoxy-2-(2-methylprop-2-enoxy)benzoic acid
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1-(2,3-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045875
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
2-[5-[(2-methoxyphenoxy)methyl]tetrazol-2-yl]acetic acid
CID 116820058
2-(3-hydroxy-3-methylbutoxy)-3-methoxybenzoic acid
CID 79359631
2-[(3-carbamoyl-2-pyridinyl)oxy]-3-methoxybenzoic acid
CID 61395782
3-methoxy-2-(2-propylsulfonylethoxy)benzoic acid
CID 106721769
2-[2-(cyanomethylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 43471761
3-methoxy-2-(3-methylsulfonylpropoxy)benzoic acid
CID 63190588
3-methoxy-2-[2-(4-methylphenoxy)ethoxy]benzoic acid
CID 20991667

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(2-methyltetrazol-5-yl)methoxy]benzoic acid?
The IUPAC name of 3-methoxy-2-[(2-methyltetrazol-5-yl)methoxy]benzoic acid (CID 107040946) is 3-methoxy-2-[(2-methyltetrazol-5-yl)methoxy]benzoic acid.
What is the SMILES notation for 3-methoxy-2-[(2-methyltetrazol-5-yl)methoxy]benzoic acid?
The canonical SMILES for 3-methoxy-2-[(2-methyltetrazol-5-yl)methoxy]benzoic acid is COc1cccc(C(=O)O)c1OCc1nnn(C)n1.
What is the InChIKey of 3-methoxy-2-[(2-methyltetrazol-5-yl)methoxy]benzoic acid?
The InChIKey is YGFARHPREPRPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-15-13-9(12-14-15)6-19-10-7(11(16)17)4-3-5-8(10)18-2/h3-5H,6H2,1-2H3,(H,16,17).
What are the key properties of 3-methoxy-2-[(2-methyltetrazol-5-yl)methoxy]benzoic acid?
3-methoxy-2-[(2-methyltetrazol-5-yl)methoxy]benzoic acid has a molecular weight of 264.24 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(2-methyltetrazol-5-yl)methoxy]benzoic acid is sourced from PubChem (CID 107040946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).