4-[2-(2H-tetrazol-5-yl)phenyl]benzoic acid

C14H10N4O2 — CID 19388302

IUPAC4-[2-(2H-tetrazol-5-yl)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H10N4O2/c19-14(20)10-7-5-9(6-8-10)11-3-1-2-4-12(11)13-15-17-18-16-13/h1-8H,(H,19,20)(H,15,16,17,18)
InChIKeyUSAWIVMZUYOXCF-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.23
Rot. Bonds3

About 4-[2-(2H-tetrazol-5-yl)phenyl]benzoic acid

4-[2-(2H-tetrazol-5-yl)phenyl]benzoic acid (PubChem CID 19388302) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 4-[2-(2H-tetrazol-5-yl)phenyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(2H-tetrazol-5-yl)phenyl]benzoic acid
PubChem CID19388302
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name4-[2-(2H-tetrazol-5-yl)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H10N4O2/c19-14(20)10-7-5-9(6-8-10)11-3-1-2-4-12(11)13-15-17-18-16-13/h1-8H,(H,19,20)(H,15,16,17,18)
InChIKeyUSAWIVMZUYOXCF-UHFFFAOYSA-N
XLogP2.23
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2H-tetrazol-5-yl)phenyl]benzoic acid?
The IUPAC name of 4-[2-(2H-tetrazol-5-yl)phenyl]benzoic acid (CID 19388302) is 4-[2-(2H-tetrazol-5-yl)phenyl]benzoic acid.
What is the SMILES notation for 4-[2-(2H-tetrazol-5-yl)phenyl]benzoic acid?
The canonical SMILES for 4-[2-(2H-tetrazol-5-yl)phenyl]benzoic acid is O=C(O)c1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 4-[2-(2H-tetrazol-5-yl)phenyl]benzoic acid?
The InChIKey is USAWIVMZUYOXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c19-14(20)10-7-5-9(6-8-10)11-3-1-2-4-12(11)13-15-17-18-16-13/h1-8H,(H,19,20)(H,15,16,17,18).
What are the key properties of 4-[2-(2H-tetrazol-5-yl)phenyl]benzoic acid?
4-[2-(2H-tetrazol-5-yl)phenyl]benzoic acid has a molecular weight of 266.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2H-tetrazol-5-yl)phenyl]benzoic acid is sourced from PubChem (CID 19388302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).