5-(3-methylphenyl)-2-(tetrazol-1-yl)benzoic acid

C15H12N4O2 — CID 125456461

IUPAC5-(3-methylphenyl)-2-(tetrazol-1-yl)benzoic acid
SMILESCc1cccc(-c2ccc(-n3cnnn3)c(C(=O)O)c2)c1
InChIInChI=1S/C15H12N4O2/c1-10-3-2-4-11(7-10)12-5-6-14(13(8-12)15(20)21)19-9-16-17-18-19/h2-9H,1H3,(H,20,21)
InChIKeyJXIGJPBPTAIVMP-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.34
Rot. Bonds3

About 5-(3-methylphenyl)-2-(tetrazol-1-yl)benzoic acid

5-(3-methylphenyl)-2-(tetrazol-1-yl)benzoic acid (PubChem CID 125456461) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 5-(3-methylphenyl)-2-(tetrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name5-(3-methylphenyl)-2-(tetrazol-1-yl)benzoic acid
PubChem CID125456461
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name5-(3-methylphenyl)-2-(tetrazol-1-yl)benzoic acid
SMILESCc1cccc(-c2ccc(-n3cnnn3)c(C(=O)O)c2)c1
InChIInChI=1S/C15H12N4O2/c1-10-3-2-4-11(7-10)12-5-6-14(13(8-12)15(20)21)19-9-16-17-18-19/h2-9H,1H3,(H,20,21)
InChIKeyJXIGJPBPTAIVMP-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

Analyze 5-(3-methylphenyl)-2-(tetrazol-1-yl)benzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-2-(tetrazol-1-yl)benzoic acid?
The IUPAC name of 5-(3-methylphenyl)-2-(tetrazol-1-yl)benzoic acid (CID 125456461) is 5-(3-methylphenyl)-2-(tetrazol-1-yl)benzoic acid.
What is the SMILES notation for 5-(3-methylphenyl)-2-(tetrazol-1-yl)benzoic acid?
The canonical SMILES for 5-(3-methylphenyl)-2-(tetrazol-1-yl)benzoic acid is Cc1cccc(-c2ccc(-n3cnnn3)c(C(=O)O)c2)c1.
What is the InChIKey of 5-(3-methylphenyl)-2-(tetrazol-1-yl)benzoic acid?
The InChIKey is JXIGJPBPTAIVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-10-3-2-4-11(7-10)12-5-6-14(13(8-12)15(20)21)19-9-16-17-18-19/h2-9H,1H3,(H,20,21).
What are the key properties of 5-(3-methylphenyl)-2-(tetrazol-1-yl)benzoic acid?
5-(3-methylphenyl)-2-(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 5-(3-methylphenyl)-2-(tetrazol-1-yl)benzoic acid is sourced from PubChem (CID 125456461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).