(2-ethoxyphenyl)methyl 3-(tetrazol-1-yl)benzoate

C17H16N4O3 — CID 2567904

IUPAC(2-ethoxyphenyl)methyl 3-(tetrazol-1-yl)benzoate
SMILESCCOc1ccccc1COC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H16N4O3/c1-2-23-16-9-4-3-6-14(16)11-24-17(22)13-7-5-8-15(10-13)21-12-18-19-20-21/h3-10,12H,2,11H2,1H3
InChIKeyVFXUMXFXIIIBLO-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.42
Rot. Bonds6

About (2-ethoxyphenyl)methyl 3-(tetrazol-1-yl)benzoate

(2-ethoxyphenyl)methyl 3-(tetrazol-1-yl)benzoate (PubChem CID 2567904) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is (2-ethoxyphenyl)methyl 3-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name(2-ethoxyphenyl)methyl 3-(tetrazol-1-yl)benzoate
PubChem CID2567904
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name(2-ethoxyphenyl)methyl 3-(tetrazol-1-yl)benzoate
SMILESCCOc1ccccc1COC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H16N4O3/c1-2-23-16-9-4-3-6-14(16)11-24-17(22)13-7-5-8-15(10-13)21-12-18-19-20-21/h3-10,12H,2,11H2,1H3
InChIKeyVFXUMXFXIIIBLO-UHFFFAOYSA-N
XLogP2.42
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl 3-(1H-tetrazol-1-yl)benzoate
CID 830989
N-(4-ethoxyphenyl)-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide
CID 747770
N-(4-Methoxy-phenyl)-3-tetrazol-1-yl-benzamide
CID 644455
N-(4-ethoxyphenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 648414
4-(1H-tetraazol-1-yl)phenyl benzoate
CID 856197
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
[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
3-(2-(1H-tetrazol-1-yl)phenethoxy)-N,N-diisobutyl-5-methylbenzamide
CID 53320283
3-(1H-tetraazol-1-yl)phenyl 4-methylbenzoate
CID 856194
[2-(4-Ethoxyphenyl)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 8351751

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)methyl 3-(tetrazol-1-yl)benzoate?
The IUPAC name of (2-ethoxyphenyl)methyl 3-(tetrazol-1-yl)benzoate (CID 2567904) is (2-ethoxyphenyl)methyl 3-(tetrazol-1-yl)benzoate.
What is the SMILES notation for (2-ethoxyphenyl)methyl 3-(tetrazol-1-yl)benzoate?
The canonical SMILES for (2-ethoxyphenyl)methyl 3-(tetrazol-1-yl)benzoate is CCOc1ccccc1COC(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of (2-ethoxyphenyl)methyl 3-(tetrazol-1-yl)benzoate?
The InChIKey is VFXUMXFXIIIBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-2-23-16-9-4-3-6-14(16)11-24-17(22)13-7-5-8-15(10-13)21-12-18-19-20-21/h3-10,12H,2,11H2,1H3.
What are the key properties of (2-ethoxyphenyl)methyl 3-(tetrazol-1-yl)benzoate?
(2-ethoxyphenyl)methyl 3-(tetrazol-1-yl)benzoate has a molecular weight of 324.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)methyl 3-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 2567904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).