4-[2-[2-oxo-3-(4-phenylphenoxy)butyl]tetrazol-5-yl]benzoic acid

C24H20N4O4 — CID 155511821

IUPAC4-[2-[2-oxo-3-(4-phenylphenoxy)butyl]tetrazol-5-yl]benzoic acid
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Cn1nnc(-c2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C24H20N4O4/c1-16(32-21-13-11-18(12-14-21)17-5-3-2-4-6-17)22(29)15-28-26-23(25-27-28)19-7-9-20(10-8-19)24(30)31/h2-14,16H,15H2,1H3,(H,30,31)
InChIKeyQYDZWEQXQBHPRJ-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.74
Rot. Bonds8

About 4-[2-[2-oxo-3-(4-phenylphenoxy)butyl]tetrazol-5-yl]benzoic acid

4-[2-[2-oxo-3-(4-phenylphenoxy)butyl]tetrazol-5-yl]benzoic acid (PubChem CID 155511821) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is 4-[2-[2-oxo-3-(4-phenylphenoxy)butyl]tetrazol-5-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-[2-oxo-3-(4-phenylphenoxy)butyl]tetrazol-5-yl]benzoic acid
PubChem CID155511821
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name4-[2-[2-oxo-3-(4-phenylphenoxy)butyl]tetrazol-5-yl]benzoic acid
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Cn1nnc(-c2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C24H20N4O4/c1-16(32-21-13-11-18(12-14-21)17-5-3-2-4-6-17)22(29)15-28-26-23(25-27-28)19-7-9-20(10-8-19)24(30)31/h2-14,16H,15H2,1H3,(H,30,31)
InChIKeyQYDZWEQXQBHPRJ-UHFFFAOYSA-N
XLogP3.74
TPSA107.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-oxo-3-(4-phenylphenoxy)butyl]tetrazol-5-yl]benzoic acid?
The IUPAC name of 4-[2-[2-oxo-3-(4-phenylphenoxy)butyl]tetrazol-5-yl]benzoic acid (CID 155511821) is 4-[2-[2-oxo-3-(4-phenylphenoxy)butyl]tetrazol-5-yl]benzoic acid.
What is the SMILES notation for 4-[2-[2-oxo-3-(4-phenylphenoxy)butyl]tetrazol-5-yl]benzoic acid?
The canonical SMILES for 4-[2-[2-oxo-3-(4-phenylphenoxy)butyl]tetrazol-5-yl]benzoic acid is CC(Oc1ccc(-c2ccccc2)cc1)C(=O)Cn1nnc(-c2ccc(C(=O)O)cc2)n1.
What is the InChIKey of 4-[2-[2-oxo-3-(4-phenylphenoxy)butyl]tetrazol-5-yl]benzoic acid?
The InChIKey is QYDZWEQXQBHPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-16(32-21-13-11-18(12-14-21)17-5-3-2-4-6-17)22(29)15-28-26-23(25-27-28)19-7-9-20(10-8-19)24(30)31/h2-14,16H,15H2,1H3,(H,30,31).
What are the key properties of 4-[2-[2-oxo-3-(4-phenylphenoxy)butyl]tetrazol-5-yl]benzoic acid?
4-[2-[2-oxo-3-(4-phenylphenoxy)butyl]tetrazol-5-yl]benzoic acid has a molecular weight of 428.45 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-oxo-3-(4-phenylphenoxy)butyl]tetrazol-5-yl]benzoic acid is sourced from PubChem (CID 155511821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).