4-(2-phenyltetrazol-5-yl)benzoic acid

C14H10N4O2 — CID 102159934

IUPAC4-(2-phenyltetrazol-5-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2nnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C14H10N4O2/c19-14(20)11-8-6-10(7-9-11)13-15-17-18(16-13)12-4-2-1-3-5-12/h1-9H,(H,19,20)
InChIKeyOFGWEJDHYGRBDQ-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.03
Rot. Bonds3

About 4-(2-phenyltetrazol-5-yl)benzoic acid

4-(2-phenyltetrazol-5-yl)benzoic acid (PubChem CID 102159934) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 4-(2-phenyltetrazol-5-yl)benzoic acid.

Molecular Properties

Compound Name4-(2-phenyltetrazol-5-yl)benzoic acid
PubChem CID102159934
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name4-(2-phenyltetrazol-5-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2nnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C14H10N4O2/c19-14(20)11-8-6-10(7-9-11)13-15-17-18(16-13)12-4-2-1-3-5-12/h1-9H,(H,19,20)
InChIKeyOFGWEJDHYGRBDQ-UHFFFAOYSA-N
XLogP2.03
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenyltetrazol-5-yl)benzoic acid?
The IUPAC name of 4-(2-phenyltetrazol-5-yl)benzoic acid (CID 102159934) is 4-(2-phenyltetrazol-5-yl)benzoic acid.
What is the SMILES notation for 4-(2-phenyltetrazol-5-yl)benzoic acid?
The canonical SMILES for 4-(2-phenyltetrazol-5-yl)benzoic acid is O=C(O)c1ccc(-c2nnn(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(2-phenyltetrazol-5-yl)benzoic acid?
The InChIKey is OFGWEJDHYGRBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c19-14(20)11-8-6-10(7-9-11)13-15-17-18(16-13)12-4-2-1-3-5-12/h1-9H,(H,19,20).
What are the key properties of 4-(2-phenyltetrazol-5-yl)benzoic acid?
4-(2-phenyltetrazol-5-yl)benzoic acid has a molecular weight of 266.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenyltetrazol-5-yl)benzoic acid is sourced from PubChem (CID 102159934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).