2-(4-methoxyphenyl)-1-phenyl-2-((513C)2H-tetrazol-5-yl)ethanone

C16H14N4O2 — CID 101128981

IUPAC2-(4-methoxyphenyl)-1-phenyl-2-((513C)2H-tetrazol-5-yl)ethanone
SMILESCOc1ccc(C(C(=O)c2ccccc2)[13c]2nn[nH]n2)cc1
InChIInChI=1S/C16H14N4O2/c1-22-13-9-7-11(8-10-13)14(16-17-19-20-18-16)15(21)12-5-3-2-4-6-12/h2-10,14H,1H3,(H,17,18,19,20)/i16+1
InChIKeyMURSOTXWJIDLBJ-LOYIAQTISA-N
MW295.31 g/mol
LogP2.22
Rot. Bonds5

About 2-(4-methoxyphenyl)-1-phenyl-2-((513C)2H-tetrazol-5-yl)ethanone

2-(4-methoxyphenyl)-1-phenyl-2-((513C)2H-tetrazol-5-yl)ethanone (PubChem CID 101128981) has the molecular formula C16H14N4O2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-phenyl-2-((513C)2H-tetrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-phenyl-2-((513C)2H-tetrazol-5-yl)ethanone
PubChem CID101128981
Molecular FormulaC16H14N4O2
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2-(4-methoxyphenyl)-1-phenyl-2-((513C)2H-tetrazol-5-yl)ethanone
SMILESCOc1ccc(C(C(=O)c2ccccc2)[13c]2nn[nH]n2)cc1
InChIInChI=1S/C16H14N4O2/c1-22-13-9-7-11(8-10-13)14(16-17-19-20-18-16)15(21)12-5-3-2-4-6-12/h2-10,14H,1H3,(H,17,18,19,20)/i16+1
InChIKeyMURSOTXWJIDLBJ-LOYIAQTISA-N
XLogP2.22
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-phenyl-2-((513C)2H-tetrazol-5-yl)ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-phenyl-2-((513C)2H-tetrazol-5-yl)ethanone (CID 101128981) is 2-(4-methoxyphenyl)-1-phenyl-2-((513C)2H-tetrazol-5-yl)ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-phenyl-2-((513C)2H-tetrazol-5-yl)ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-phenyl-2-((513C)2H-tetrazol-5-yl)ethanone is COc1ccc(C(C(=O)c2ccccc2)[13c]2nn[nH]n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-phenyl-2-((513C)2H-tetrazol-5-yl)ethanone?
The InChIKey is MURSOTXWJIDLBJ-LOYIAQTISA-N. The full InChI is InChI=1S/C16H14N4O2/c1-22-13-9-7-11(8-10-13)14(16-17-19-20-18-16)15(21)12-5-3-2-4-6-12/h2-10,14H,1H3,(H,17,18,19,20)/i16+1.
What are the key properties of 2-(4-methoxyphenyl)-1-phenyl-2-((513C)2H-tetrazol-5-yl)ethanone?
2-(4-methoxyphenyl)-1-phenyl-2-((513C)2H-tetrazol-5-yl)ethanone has a molecular weight of 295.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-phenyl-2-((513C)2H-tetrazol-5-yl)ethanone is sourced from PubChem (CID 101128981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).