3-(4-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid

C15H12N4O3 — CID 67316112

IUPAC3-(4-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid
SMILESCOc1ccc(-c2cc(C(=O)O)cc(-n3cnnn3)c2)cc1
InChIInChI=1S/C15H12N4O3/c1-22-14-4-2-10(3-5-14)11-6-12(15(20)21)8-13(7-11)19-9-16-17-18-19/h2-9H,1H3,(H,20,21)
InChIKeyNZYRJESRKYRUCX-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.04
Rot. Bonds4

About 3-(4-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid

3-(4-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid (PubChem CID 67316112) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid
PubChem CID67316112
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name3-(4-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid
SMILESCOc1ccc(-c2cc(C(=O)O)cc(-n3cnnn3)c2)cc1
InChIInChI=1S/C15H12N4O3/c1-22-14-4-2-10(3-5-14)11-6-12(15(20)21)8-13(7-11)19-9-16-17-18-19/h2-9H,1H3,(H,20,21)
InChIKeyNZYRJESRKYRUCX-UHFFFAOYSA-N
XLogP2.04
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid?
The IUPAC name of 3-(4-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid (CID 67316112) is 3-(4-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid?
The canonical SMILES for 3-(4-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid is COc1ccc(-c2cc(C(=O)O)cc(-n3cnnn3)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid?
The InChIKey is NZYRJESRKYRUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-22-14-4-2-10(3-5-14)11-6-12(15(20)21)8-13(7-11)19-9-16-17-18-19/h2-9H,1H3,(H,20,21).
What are the key properties of 3-(4-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid?
3-(4-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid has a molecular weight of 296.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid is sourced from PubChem (CID 67316112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).