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

C18H19NO4 — CID 162669905

IUPAC2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine
SMILESCOc1ccc(C2N=C2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H19NO4/c1-20-13-7-5-11(6-8-13)16-17(19-16)12-9-14(21-2)18(23-4)15(10-12)22-3/h5-10,16H,1-4H3
InChIKeyNLZODZZJXNGGCH-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.27
Rot. Bonds6

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

2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine (PubChem CID 162669905) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine
PubChem CID162669905
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine
SMILESCOc1ccc(C2N=C2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H19NO4/c1-20-13-7-5-11(6-8-13)16-17(19-16)12-9-14(21-2)18(23-4)15(10-12)22-3/h5-10,16H,1-4H3
InChIKeyNLZODZZJXNGGCH-UHFFFAOYSA-N
XLogP3.27
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine?
The IUPAC name of 2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine (CID 162669905) is 2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine is COc1ccc(C2N=C2c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine?
The InChIKey is NLZODZZJXNGGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-20-13-7-5-11(6-8-13)16-17(19-16)12-9-14(21-2)18(23-4)15(10-12)22-3/h5-10,16H,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine?
2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine has a molecular weight of 313.35 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine is sourced from PubChem (CID 162669905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).