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

C11H12N4O4 — CID 107040973

IUPAC4-methoxy-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1OCc1nnn(C)n1
InChIInChI=1S/C11H12N4O4/c1-15-13-10(12-14-15)6-19-9-5-7(11(16)17)3-4-8(9)18-2/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyIRSCKAFRBNIKCX-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.50
Rot. Bonds5

About 4-methoxy-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid

4-methoxy-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid (PubChem CID 107040973) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 4-methoxy-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
PubChem CID107040973
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name4-methoxy-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1OCc1nnn(C)n1
InChIInChI=1S/C11H12N4O4/c1-15-13-10(12-14-15)6-19-9-5-7(11(16)17)3-4-8(9)18-2/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyIRSCKAFRBNIKCX-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

4-amino-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107044786
(2-methyltetrazol-5-yl)methyl 3-amino-4-methoxybenzoate
CID 107052112
3-methoxy-2-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107040946
4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid
CID 28782613
1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanone
CID 107043044
2-amino-6-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107341596
(1S)-1-[3-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041458
4-methoxy-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid
CID 61495281
3,4-dimethoxybenzoic acid;methanol
CID 144580050
4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid
CID 20986648
5-[(2-methyltetrazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 107043205
5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole
CID 107043113

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid?
The IUPAC name of 4-methoxy-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid (CID 107040973) is 4-methoxy-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid?
The canonical SMILES for 4-methoxy-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid is COc1ccc(C(=O)O)cc1OCc1nnn(C)n1.
What is the InChIKey of 4-methoxy-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid?
The InChIKey is IRSCKAFRBNIKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-15-13-10(12-14-15)6-19-9-5-7(11(16)17)3-4-8(9)18-2/h3-5H,6H2,1-2H3,(H,16,17).
What are the key properties of 4-methoxy-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid?
4-methoxy-3-[(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 4-methoxy-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid is sourced from PubChem (CID 107040973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).