2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate

C12H13N4O4- — CID 7353447

IUPAC2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate
SMILESCCOc1cc(-c2nnn(CC(=O)[O-])n2)ccc1OC
InChIInChI=1S/C12H14N4O4/c1-3-20-10-6-8(4-5-9(10)19-2)12-13-15-16(14-12)7-11(17)18/h4-6H,3,7H2,1-2H3,(H,17,18)/p-1
InChIKeyUDSAPVBBVOEZDZ-UHFFFAOYSA-M
MW277.26 g/mol
LogP-0.50
Rot. Bonds6

About 2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate

2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate (PubChem CID 7353447) has the molecular formula C12H13N4O4- and a molecular weight of 277.26 g/mol. Its IUPAC name is 2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate.

Molecular Properties

Compound Name2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate
PubChem CID7353447
Molecular FormulaC12H13N4O4-
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC Name2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate
SMILESCCOc1cc(-c2nnn(CC(=O)[O-])n2)ccc1OC
InChIInChI=1S/C12H14N4O4/c1-3-20-10-6-8(4-5-9(10)19-2)12-13-15-16(14-12)7-11(17)18/h4-6H,3,7H2,1-2H3,(H,17,18)/p-1
InChIKeyUDSAPVBBVOEZDZ-UHFFFAOYSA-M
XLogP-0.50
TPSA102.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 3993067
2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]-N-(3-fluorophenyl)acetamide
CID 19798541
2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetic acid
CID 5303488
2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide
CID 17046913
2-[(4-chlorophenyl)methyl]-5-(3-ethoxy-4-methoxyphenyl)tetrazole
CID 19798533
N-(1,3-benzodioxol-5-yl)-2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetamide
CID 8768217
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 7887102
2-[5-(3-amino-4-methoxyphenyl)tetrazol-2-yl]acetamide
CID 43831132
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetate
CID 8678093
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1164686
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 18777968
2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 1175335

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate?
The IUPAC name of 2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate (CID 7353447) is 2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate.
What is the SMILES notation for 2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate?
The canonical SMILES for 2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate is CCOc1cc(-c2nnn(CC(=O)[O-])n2)ccc1OC.
What is the InChIKey of 2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate?
The InChIKey is UDSAPVBBVOEZDZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H14N4O4/c1-3-20-10-6-8(4-5-9(10)19-2)12-13-15-16(14-12)7-11(17)18/h4-6H,3,7H2,1-2H3,(H,17,18)/p-1.
What are the key properties of 2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate?
2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate has a molecular weight of 277.26 g/mol, XLogP of -0.50, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate is sourced from PubChem (CID 7353447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).