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

C20H14N4O2 — CID 118760169

IUPAC3-(3-phenylphenyl)-5-(tetrazol-1-yl)benzoic acid
SMILESO=C(O)c1cc(-c2cccc(-c3ccccc3)c2)cc(-n2cnnn2)c1
InChIInChI=1S/C20H14N4O2/c25-20(26)18-10-17(11-19(12-18)24-13-21-22-23-24)16-8-4-7-15(9-16)14-5-2-1-3-6-14/h1-13H,(H,25,26)
InChIKeyODAXJILZBLPDRI-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.69
Rot. Bonds4

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

3-(3-phenylphenyl)-5-(tetrazol-1-yl)benzoic acid (PubChem CID 118760169) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 3-(3-phenylphenyl)-5-(tetrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name3-(3-phenylphenyl)-5-(tetrazol-1-yl)benzoic acid
PubChem CID118760169
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name3-(3-phenylphenyl)-5-(tetrazol-1-yl)benzoic acid
SMILESO=C(O)c1cc(-c2cccc(-c3ccccc3)c2)cc(-n2cnnn2)c1
InChIInChI=1S/C20H14N4O2/c25-20(26)18-10-17(11-19(12-18)24-13-21-22-23-24)16-8-4-7-15(9-16)14-5-2-1-3-6-14/h1-13H,(H,25,26)
InChIKeyODAXJILZBLPDRI-UHFFFAOYSA-N
XLogP3.69
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methylphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 118759932
N-benzyl-3-phenyl-5-(tetrazol-1-yl)benzamide;ethane
CID 91351854
3-phenoxathiin-4-yl-5-(tetrazol-1-yl)benzoic acid
CID 118759246
3-(5-methyltetrazol-1-yl)-5-phenylbenzoic acid
CID 151002754
3-(4-methoxy-2-methylphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 67316601
3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 67316008
4-phenyl-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzoic acid
CID 146601229
N-[2-(diethylamino)ethyl]-N-methyl-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 42500060
N-(2-hydroxy-1-phenylethyl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 76642992
3-phenyl-5-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]benzoic acid
CID 175917729
bis[3-(3,5-diphenylphenyl)-5-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]methanone
CID 58299054
[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-(3,5-diphenylphenyl)methanone
CID 58299161

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylphenyl)-5-(tetrazol-1-yl)benzoic acid?
The IUPAC name of 3-(3-phenylphenyl)-5-(tetrazol-1-yl)benzoic acid (CID 118760169) is 3-(3-phenylphenyl)-5-(tetrazol-1-yl)benzoic acid.
What is the SMILES notation for 3-(3-phenylphenyl)-5-(tetrazol-1-yl)benzoic acid?
The canonical SMILES for 3-(3-phenylphenyl)-5-(tetrazol-1-yl)benzoic acid is O=C(O)c1cc(-c2cccc(-c3ccccc3)c2)cc(-n2cnnn2)c1.
What is the InChIKey of 3-(3-phenylphenyl)-5-(tetrazol-1-yl)benzoic acid?
The InChIKey is ODAXJILZBLPDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c25-20(26)18-10-17(11-19(12-18)24-13-21-22-23-24)16-8-4-7-15(9-16)14-5-2-1-3-6-14/h1-13H,(H,25,26).
What are the key properties of 3-(3-phenylphenyl)-5-(tetrazol-1-yl)benzoic acid?
3-(3-phenylphenyl)-5-(tetrazol-1-yl)benzoic acid has a molecular weight of 342.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylphenyl)-5-(tetrazol-1-yl)benzoic acid is sourced from PubChem (CID 118760169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).