[4-(tetrazol-1-yl)phenyl] 2,2-diphenylacetate

C21H16N4O2 — CID 4815617

IUPAC[4-(tetrazol-1-yl)phenyl] 2,2-diphenylacetate
SMILESO=C(Oc1ccc(-n2cnnn2)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N4O2/c26-21(27-19-13-11-18(12-14-19)25-15-22-23-24-25)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15,20H
InChIKeyTUSJBGGDCHBVPW-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.40
Rot. Bonds5

About [4-(tetrazol-1-yl)phenyl] 2,2-diphenylacetate

[4-(tetrazol-1-yl)phenyl] 2,2-diphenylacetate (PubChem CID 4815617) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is [4-(tetrazol-1-yl)phenyl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[4-(tetrazol-1-yl)phenyl] 2,2-diphenylacetate
PubChem CID4815617
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name[4-(tetrazol-1-yl)phenyl] 2,2-diphenylacetate
SMILESO=C(Oc1ccc(-n2cnnn2)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N4O2/c26-21(27-19-13-11-18(12-14-19)25-15-22-23-24-25)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15,20H
InChIKeyTUSJBGGDCHBVPW-UHFFFAOYSA-N
XLogP3.40
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

4-(2,2-diphenylacetyl)oxybenzoate
CID 6956217
[4-(tetrazol-1-yl)phenyl] (2S)-2-(3,5-dimethylphenoxy)propanoate
CID 26822159
2-[4-(tetrazol-1-yl)phenoxy]propanoic acid
CID 6485344
4-phenoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729233
[4-(tetrazol-1-yl)phenyl] 4-methoxybenzoate
CID 20896810
(2R)-2-[4-(tetrazol-1-yl)phenyl]propanoic acid
CID 124637262
2,2-diphenyl-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7694180
[4-(tetrazol-1-yl)phenyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 27674834
[4-(tetrazol-1-yl)phenyl] trifluoromethanesulfonate
CID 88559232
[4-(tetrazol-1-yl)phenyl] 3-methyl-1-benzofuran-2-carboxylate
CID 8872899
N-[(1R)-1,2-diphenylethyl]-4-(tetrazol-1-yl)benzamide
CID 41131633
[4-(tetrazol-1-yl)phenyl] 2-phenylethanesulfonate
CID 60538267

Frequently Asked Questions

What is the IUPAC name of [4-(tetrazol-1-yl)phenyl] 2,2-diphenylacetate?
The IUPAC name of [4-(tetrazol-1-yl)phenyl] 2,2-diphenylacetate (CID 4815617) is [4-(tetrazol-1-yl)phenyl] 2,2-diphenylacetate.
What is the SMILES notation for [4-(tetrazol-1-yl)phenyl] 2,2-diphenylacetate?
The canonical SMILES for [4-(tetrazol-1-yl)phenyl] 2,2-diphenylacetate is O=C(Oc1ccc(-n2cnnn2)cc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of [4-(tetrazol-1-yl)phenyl] 2,2-diphenylacetate?
The InChIKey is TUSJBGGDCHBVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c26-21(27-19-13-11-18(12-14-19)25-15-22-23-24-25)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15,20H.
What are the key properties of [4-(tetrazol-1-yl)phenyl] 2,2-diphenylacetate?
[4-(tetrazol-1-yl)phenyl] 2,2-diphenylacetate has a molecular weight of 356.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(tetrazol-1-yl)phenyl] 2,2-diphenylacetate is sourced from PubChem (CID 4815617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).