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

C15H12N4O2 — CID 118759932

IUPAC3-(3-methylphenyl)-5-(tetrazol-1-yl)benzoic acid
SMILESCc1cccc(-c2cc(C(=O)O)cc(-n3cnnn3)c2)c1
InChIInChI=1S/C15H12N4O2/c1-10-3-2-4-11(5-10)12-6-13(15(20)21)8-14(7-12)19-9-16-17-18-19/h2-9H,1H3,(H,20,21)
InChIKeyRSLPXJJOKUXPDC-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.34
Rot. Bonds3

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

3-(3-methylphenyl)-5-(tetrazol-1-yl)benzoic acid (PubChem CID 118759932) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-(3-methylphenyl)-5-(tetrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name3-(3-methylphenyl)-5-(tetrazol-1-yl)benzoic acid
PubChem CID118759932
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name3-(3-methylphenyl)-5-(tetrazol-1-yl)benzoic acid
SMILESCc1cccc(-c2cc(C(=O)O)cc(-n3cnnn3)c2)c1
InChIInChI=1S/C15H12N4O2/c1-10-3-2-4-11(5-10)12-6-13(15(20)21)8-14(7-12)19-9-16-17-18-19/h2-9H,1H3,(H,20,21)
InChIKeyRSLPXJJOKUXPDC-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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Related Compounds

3-(3-phenylphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 118760169
N-[2-(diethylamino)ethyl]-N-methyl-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 42500060
5-(3-methylphenyl)-2-(tetrazol-1-yl)benzoic acid
CID 125456461
3-(4-methoxy-2-methylphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 67316601
N-benzyl-3-phenyl-5-(tetrazol-1-yl)benzamide;ethane
CID 91351854
3-(5-methyltetrazol-1-yl)-5-phenylbenzoic acid
CID 151002754
3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 67316008
3-phenoxathiin-4-yl-5-(tetrazol-1-yl)benzoic acid
CID 118759246
N-(2-hydroxy-1-phenylethyl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 76642992
3-[3-(3-carboxyphenyl)-5-methylphenyl]benzoic acid
CID 163197733
N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 24889642
3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide
CID 129154966

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-5-(tetrazol-1-yl)benzoic acid?
The IUPAC name of 3-(3-methylphenyl)-5-(tetrazol-1-yl)benzoic acid (CID 118759932) is 3-(3-methylphenyl)-5-(tetrazol-1-yl)benzoic acid.
What is the SMILES notation for 3-(3-methylphenyl)-5-(tetrazol-1-yl)benzoic acid?
The canonical SMILES for 3-(3-methylphenyl)-5-(tetrazol-1-yl)benzoic acid is Cc1cccc(-c2cc(C(=O)O)cc(-n3cnnn3)c2)c1.
What is the InChIKey of 3-(3-methylphenyl)-5-(tetrazol-1-yl)benzoic acid?
The InChIKey is RSLPXJJOKUXPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-10-3-2-4-11(5-10)12-6-13(15(20)21)8-14(7-12)19-9-16-17-18-19/h2-9H,1H3,(H,20,21).
What are the key properties of 3-(3-methylphenyl)-5-(tetrazol-1-yl)benzoic acid?
3-(3-methylphenyl)-5-(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 3-(3-methylphenyl)-5-(tetrazol-1-yl)benzoic acid is sourced from PubChem (CID 118759932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).