2-[5-(4-methylphenyl)tetrazol-1-yl]benzoic acid

C15H12N4O2 — CID 902528

IUPAC2-[5-(4-methylphenyl)tetrazol-1-yl]benzoic acid
SMILESCc1ccc(-c2nnnn2-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C15H12N4O2/c1-10-6-8-11(9-7-10)14-16-17-18-19(14)13-5-3-2-4-12(13)15(20)21/h2-9H,1H3,(H,20,21)
InChIKeyPUWCCIANSODOCK-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.34
Rot. Bonds3

About 2-[5-(4-methylphenyl)tetrazol-1-yl]benzoic acid

2-[5-(4-methylphenyl)tetrazol-1-yl]benzoic acid (PubChem CID 902528) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)tetrazol-1-yl]benzoic acid.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)tetrazol-1-yl]benzoic acid
PubChem CID902528
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name2-[5-(4-methylphenyl)tetrazol-1-yl]benzoic acid
SMILESCc1ccc(-c2nnnn2-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C15H12N4O2/c1-10-6-8-11(9-7-10)14-16-17-18-19(14)13-5-3-2-4-12(13)15(20)21/h2-9H,1H3,(H,20,21)
InChIKeyPUWCCIANSODOCK-UHFFFAOYSA-N
XLogP2.34
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)tetrazol-1-yl]benzoic acid?
The IUPAC name of 2-[5-(4-methylphenyl)tetrazol-1-yl]benzoic acid (CID 902528) is 2-[5-(4-methylphenyl)tetrazol-1-yl]benzoic acid.
What is the SMILES notation for 2-[5-(4-methylphenyl)tetrazol-1-yl]benzoic acid?
The canonical SMILES for 2-[5-(4-methylphenyl)tetrazol-1-yl]benzoic acid is Cc1ccc(-c2nnnn2-c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)tetrazol-1-yl]benzoic acid?
The InChIKey is PUWCCIANSODOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-10-6-8-11(9-7-10)14-16-17-18-19(14)13-5-3-2-4-12(13)15(20)21/h2-9H,1H3,(H,20,21).
What are the key properties of 2-[5-(4-methylphenyl)tetrazol-1-yl]benzoic acid?
2-[5-(4-methylphenyl)tetrazol-1-yl]benzoic acid has a molecular weight of 280.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)tetrazol-1-yl]benzoic acid is sourced from PubChem (CID 902528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).