[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate

C18H16N4O4 — CID 24687851

IUPAC[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
SMILESCCOc1ccc(C(=O)COC(=O)c2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C18H16N4O4/c1-2-25-16-8-6-13(7-9-16)17(23)11-26-18(24)14-4-3-5-15(10-14)22-12-19-20-21-22/h3-10,12H,2,11H2,1H3
InChIKeyKRAGTDOVFUUDAQ-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.10
Rot. Bonds7

About [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate

[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate (PubChem CID 24687851) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
PubChem CID24687851
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
SMILESCCOc1ccc(C(=O)COC(=O)c2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C18H16N4O4/c1-2-25-16-8-6-13(7-9-16)17(23)11-26-18(24)14-4-3-5-15(10-14)22-12-19-20-21-22/h3-10,12H,2,11H2,1H3
InChIKeyKRAGTDOVFUUDAQ-UHFFFAOYSA-N
XLogP2.10
TPSA96.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethoxyphenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 648414
4-(1H-tetraazol-1-yl)phenyl benzoate
CID 856197
ethyl 4-({[4-(1H-tetrazol-1-yl)phenoxy]acetyl}amino)benzoate
CID 1259832
1-[4-Ethoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone
CID 2110332
1-[4-Methoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone
CID 2565652
Methyl 5-[[4-(tetrazol-1-yl)benzoyl]oxymethyl]furan-2-carboxylate
CID 2570777
[2-(2,4-Dimethoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 9108611
2-(4-Fluorophenyl)-2-oxoethyl 3-(1H-tetrazol-1-yl)benzoate
CID 16514762
[2-(4-Ethoxyphenyl)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 8351751
(1-Oxo-1-phenylpropan-2-yl) 3-(tetrazol-1-yl)benzoate
CID 18080804
Phenacyl 3-(tetrazol-1-yl)benzoate
CID 24818079
N-(5-Acetyl-2-ethoxyphenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 118633152

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate?
The IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate (CID 24687851) is [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate?
The canonical SMILES for [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate is CCOc1ccc(C(=O)COC(=O)c2cccc(-n3cnnn3)c2)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate?
The InChIKey is KRAGTDOVFUUDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-2-25-16-8-6-13(7-9-16)17(23)11-26-18(24)14-4-3-5-15(10-14)22-12-19-20-21-22/h3-10,12H,2,11H2,1H3.
What are the key properties of [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate?
[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate has a molecular weight of 352.35 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 24687851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).