1-(5-ethenyl-2-methoxyphenyl)-2-(2H-tetrazol-5-yl)ethanone

C12H12N4O2 — CID 58652414

IUPAC1-(5-ethenyl-2-methoxyphenyl)-2-(2H-tetrazol-5-yl)ethanone
SMILESC=Cc1ccc(OC)c(C(=O)Cc2nn[nH]n2)c1
InChIInChI=1S/C12H12N4O2/c1-3-8-4-5-11(18-2)9(6-8)10(17)7-12-13-15-16-14-12/h3-6H,1,7H2,2H3,(H,13,14,15,16)
InChIKeyHQIZJIKWIGEGIQ-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.28
Rot. Bonds5

About 1-(5-ethenyl-2-methoxyphenyl)-2-(2H-tetrazol-5-yl)ethanone

1-(5-ethenyl-2-methoxyphenyl)-2-(2H-tetrazol-5-yl)ethanone (PubChem CID 58652414) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-(5-ethenyl-2-methoxyphenyl)-2-(2H-tetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethenyl-2-methoxyphenyl)-2-(2H-tetrazol-5-yl)ethanone
PubChem CID58652414
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name1-(5-ethenyl-2-methoxyphenyl)-2-(2H-tetrazol-5-yl)ethanone
SMILESC=Cc1ccc(OC)c(C(=O)Cc2nn[nH]n2)c1
InChIInChI=1S/C12H12N4O2/c1-3-8-4-5-11(18-2)9(6-8)10(17)7-12-13-15-16-14-12/h3-6H,1,7H2,2H3,(H,13,14,15,16)
InChIKeyHQIZJIKWIGEGIQ-UHFFFAOYSA-N
XLogP1.28
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethenyl-2-methoxyphenyl)-2-(2H-tetrazol-5-yl)ethanone?
The IUPAC name of 1-(5-ethenyl-2-methoxyphenyl)-2-(2H-tetrazol-5-yl)ethanone (CID 58652414) is 1-(5-ethenyl-2-methoxyphenyl)-2-(2H-tetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(5-ethenyl-2-methoxyphenyl)-2-(2H-tetrazol-5-yl)ethanone?
The canonical SMILES for 1-(5-ethenyl-2-methoxyphenyl)-2-(2H-tetrazol-5-yl)ethanone is C=Cc1ccc(OC)c(C(=O)Cc2nn[nH]n2)c1.
What is the InChIKey of 1-(5-ethenyl-2-methoxyphenyl)-2-(2H-tetrazol-5-yl)ethanone?
The InChIKey is HQIZJIKWIGEGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-3-8-4-5-11(18-2)9(6-8)10(17)7-12-13-15-16-14-12/h3-6H,1,7H2,2H3,(H,13,14,15,16).
What are the key properties of 1-(5-ethenyl-2-methoxyphenyl)-2-(2H-tetrazol-5-yl)ethanone?
1-(5-ethenyl-2-methoxyphenyl)-2-(2H-tetrazol-5-yl)ethanone has a molecular weight of 244.25 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethenyl-2-methoxyphenyl)-2-(2H-tetrazol-5-yl)ethanone is sourced from PubChem (CID 58652414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).