2-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine

C18H19NO3 — CID 162651791

IUPAC2-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine
SMILESCOc1cc(C2=NC2c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C18H19NO3/c1-11-5-7-12(8-6-11)16-17(19-16)13-9-14(20-2)18(22-4)15(10-13)21-3/h5-10,16H,1-4H3
InChIKeyGTEHAJIWKUTWJF-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.56
Rot. Bonds5

About 2-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine

2-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine (PubChem CID 162651791) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine
PubChem CID162651791
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine
SMILESCOc1cc(C2=NC2c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C18H19NO3/c1-11-5-7-12(8-6-11)16-17(19-16)13-9-14(20-2)18(22-4)15(10-13)21-3/h5-10,16H,1-4H3
InChIKeyGTEHAJIWKUTWJF-UHFFFAOYSA-N
XLogP3.56
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-Dimethoxy-1-(2-phenylethyl)-3,4-dihydroisoquinoline
CID 3766962
Methyl 5-(3-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carboxylate
CID 141733348
3-(3-fluoro-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-2H-azirine
CID 162646479
2-(4-methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine
CID 162649376
3-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-2H-azirine
CID 162650401
3-phenyl-2-(3,4,5-trimethoxyphenyl)-2H-azirine
CID 162651570
3-(4-methoxy-3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-2H-azirine
CID 162655835
2-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine
CID 162658178
3-(4-ethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-2H-azirine
CID 162669735
2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine
CID 162669905
2-(4-ethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine
CID 162673167
3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-2H-azirine
CID 162675570

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine?
The IUPAC name of 2-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine (CID 162651791) is 2-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine.
What is the SMILES notation for 2-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine?
The canonical SMILES for 2-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine is COc1cc(C2=NC2c2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of 2-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine?
The InChIKey is GTEHAJIWKUTWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-11-5-7-12(8-6-11)16-17(19-16)13-9-14(20-2)18(22-4)15(10-13)21-3/h5-10,16H,1-4H3.
What are the key properties of 2-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine?
2-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine has a molecular weight of 297.35 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine is sourced from PubChem (CID 162651791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).