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

C23H20N4O2 — CID 19388299

IUPAC4-[2-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]phenyl]benzoic acid
SMILESCC(C)(c1ccccc1)n1nnc(-c2ccccc2-c2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C23H20N4O2/c1-23(2,18-8-4-3-5-9-18)27-25-21(24-26-27)20-11-7-6-10-19(20)16-12-14-17(15-13-16)22(28)29/h3-15H,1-2H3,(H,28,29)
InChIKeyYLAFNSKEHBVKFW-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.49
Rot. Bonds5

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

4-[2-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]phenyl]benzoic acid (PubChem CID 19388299) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[2-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]phenyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]phenyl]benzoic acid
PubChem CID19388299
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name4-[2-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]phenyl]benzoic acid
SMILESCC(C)(c1ccccc1)n1nnc(-c2ccccc2-c2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C23H20N4O2/c1-23(2,18-8-4-3-5-9-18)27-25-21(24-26-27)20-11-7-6-10-19(20)16-12-14-17(15-13-16)22(28)29/h3-15H,1-2H3,(H,28,29)
InChIKeyYLAFNSKEHBVKFW-UHFFFAOYSA-N
XLogP4.49
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-phenylphenyl)-2-(2-phenylpropan-2-yl)tetrazole
CID 10640908
5-[2-(4-methylphenyl)phenyl]-2-(2-phenylpropan-2-yl)tetrazole
CID 10546069
[4-phenyl-3-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]phenyl]methanol
CID 19939936
2-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]benzaldehyde
CID 87057717
5-(3-methoxy-2-phenylphenyl)-2-(2-phenylpropan-2-yl)tetrazole
CID 10690533
1-butyl-2-[[4-phenyl-3-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]phenyl]methyl]indole-3-carboxylic acid
CID 67690327
tert-butyl (2S)-3-methyl-2-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methylamino]butanoate
CID 58810554
2-butyl-5-chloro-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 59778746
5-(5-methyl-2-phenylphenyl)-2-trityltetrazole
CID 67300435
N-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-amine
CID 139605876
5-(2-chlorophenyl)-2-trityltetrazole
CID 86055303
6-methyl-2-propyl-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]quinoline-4-carboxylic acid
CID 19814450

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]phenyl]benzoic acid?
The IUPAC name of 4-[2-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]phenyl]benzoic acid (CID 19388299) is 4-[2-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]phenyl]benzoic acid.
What is the SMILES notation for 4-[2-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]phenyl]benzoic acid?
The canonical SMILES for 4-[2-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]phenyl]benzoic acid is CC(C)(c1ccccc1)n1nnc(-c2ccccc2-c2ccc(C(=O)O)cc2)n1.
What is the InChIKey of 4-[2-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]phenyl]benzoic acid?
The InChIKey is YLAFNSKEHBVKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-23(2,18-8-4-3-5-9-18)27-25-21(24-26-27)20-11-7-6-10-19(20)16-12-14-17(15-13-16)22(28)29/h3-15H,1-2H3,(H,28,29).
What are the key properties of 4-[2-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]phenyl]benzoic acid?
4-[2-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]phenyl]benzoic acid has a molecular weight of 384.44 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]phenyl]benzoic acid is sourced from PubChem (CID 19388299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).