3-methyl-4-(1-methyltetrazol-5-yl)oxybenzoic acid

C10H10N4O3 — CID 107672794

IUPAC3-methyl-4-(1-methyltetrazol-5-yl)oxybenzoic acid
SMILESCc1cc(C(=O)O)ccc1Oc1nnnn1C
InChIInChI=1S/C10H10N4O3/c1-6-5-7(9(15)16)3-4-8(6)17-10-11-12-13-14(10)2/h3-5H,1-2H3,(H,15,16)
InChIKeyMDGGIENTXXCYHG-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.01
Rot. Bonds3

About 3-methyl-4-(1-methyltetrazol-5-yl)oxybenzoic acid

3-methyl-4-(1-methyltetrazol-5-yl)oxybenzoic acid (PubChem CID 107672794) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 3-methyl-4-(1-methyltetrazol-5-yl)oxybenzoic acid.

Molecular Properties

Compound Name3-methyl-4-(1-methyltetrazol-5-yl)oxybenzoic acid
PubChem CID107672794
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name3-methyl-4-(1-methyltetrazol-5-yl)oxybenzoic acid
SMILESCc1cc(C(=O)O)ccc1Oc1nnnn1C
InChIInChI=1S/C10H10N4O3/c1-6-5-7(9(15)16)3-4-8(6)17-10-11-12-13-14(10)2/h3-5H,1-2H3,(H,15,16)
InChIKeyMDGGIENTXXCYHG-UHFFFAOYSA-N
XLogP1.01
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-4-(1-methyltetrazol-5-yl)oxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methoxyphenoxy)-3-methylbenzoic acid
CID 62120451
3-methyl-4-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116792565
4-(1-ethylimidazol-2-yl)oxy-3-methylbenzoic acid
CID 107672719
3-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzoic acid
CID 107672815
2-fluoro-4-(1-methyltetrazol-5-yl)oxybenzoic acid
CID 107677422
4-formyloxy-3-methylbenzoic acid
CID 88552813
4-cinnolin-4-yloxy-3-methylbenzoic acid
CID 107672871
4-(4-cyano-5,6-dimethylpyridazin-3-yl)oxy-3-methylbenzoic acid
CID 107672819
3-methyl-4-phthalazin-1-yloxybenzoic acid
CID 107672852
4-[(3-bromo-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672787
1-(3,4-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 1147151
4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672839

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-methyltetrazol-5-yl)oxybenzoic acid?
The IUPAC name of 3-methyl-4-(1-methyltetrazol-5-yl)oxybenzoic acid (CID 107672794) is 3-methyl-4-(1-methyltetrazol-5-yl)oxybenzoic acid.
What is the SMILES notation for 3-methyl-4-(1-methyltetrazol-5-yl)oxybenzoic acid?
The canonical SMILES for 3-methyl-4-(1-methyltetrazol-5-yl)oxybenzoic acid is Cc1cc(C(=O)O)ccc1Oc1nnnn1C.
What is the InChIKey of 3-methyl-4-(1-methyltetrazol-5-yl)oxybenzoic acid?
The InChIKey is MDGGIENTXXCYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-6-5-7(9(15)16)3-4-8(6)17-10-11-12-13-14(10)2/h3-5H,1-2H3,(H,15,16).
What are the key properties of 3-methyl-4-(1-methyltetrazol-5-yl)oxybenzoic acid?
3-methyl-4-(1-methyltetrazol-5-yl)oxybenzoic acid has a molecular weight of 234.22 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-methyltetrazol-5-yl)oxybenzoic acid is sourced from PubChem (CID 107672794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).