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

C17H14N4O4 — CID 25162077

IUPAC[2-(2-methoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
SMILESCOc1ccccc1C(=O)COC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H14N4O4/c1-24-16-8-3-2-7-14(16)15(22)10-25-17(23)12-5-4-6-13(9-12)21-11-18-19-20-21/h2-9,11H,10H2,1H3
InChIKeyNVQTYECDQUPQJK-UHFFFAOYSA-N
MW338.32 g/mol
LogP1.71
Rot. Bonds6

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

[2-(2-methoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate (PubChem CID 25162077) has the molecular formula C17H14N4O4 and a molecular weight of 338.32 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
PubChem CID25162077
Molecular FormulaC17H14N4O4
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC Name[2-(2-methoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
SMILESCOc1ccccc1C(=O)COC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H14N4O4/c1-24-16-8-3-2-7-14(16)15(22)10-25-17(23)12-5-4-6-13(9-12)21-11-18-19-20-21/h2-9,11H,10H2,1H3
InChIKeyNVQTYECDQUPQJK-UHFFFAOYSA-N
XLogP1.71
TPSA96.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate?
The IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate (CID 25162077) is [2-(2-methoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [2-(2-methoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate?
The canonical SMILES for [2-(2-methoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate is COc1ccccc1C(=O)COC(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of [2-(2-methoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate?
The InChIKey is NVQTYECDQUPQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4/c1-24-16-8-3-2-7-14(16)15(22)10-25-17(23)12-5-4-6-13(9-12)21-11-18-19-20-21/h2-9,11H,10H2,1H3.
What are the key properties of [2-(2-methoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate?
[2-(2-methoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate has a molecular weight of 338.32 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 25162077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).