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

C19H21NO4 — CID 162655835

IUPAC3-(4-methoxy-3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-2H-azirine
SMILESCOc1ccc(C2=NC2c2cc(OC)c(OC)c(OC)c2)cc1C
InChIInChI=1S/C19H21NO4/c1-11-8-12(6-7-14(11)21-2)17-18(20-17)13-9-15(22-3)19(24-5)16(10-13)23-4/h6-10,18H,1-5H3
InChIKeyJYQGVXYZYCDMRA-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.57
Rot. Bonds6

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

3-(4-methoxy-3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-2H-azirine (PubChem CID 162655835) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-2H-azirine.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-2H-azirine
PubChem CID162655835
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name3-(4-methoxy-3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-2H-azirine
SMILESCOc1ccc(C2=NC2c2cc(OC)c(OC)c(OC)c2)cc1C
InChIInChI=1S/C19H21NO4/c1-11-8-12(6-7-14(11)21-2)17-18(20-17)13-9-15(22-3)19(24-5)16(10-13)23-4/h6-10,18H,1-5H3
InChIKeyJYQGVXYZYCDMRA-UHFFFAOYSA-N
XLogP3.57
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-2H-azirine?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-2H-azirine (CID 162655835) is 3-(4-methoxy-3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-2H-azirine.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-2H-azirine?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-2H-azirine is COc1ccc(C2=NC2c2cc(OC)c(OC)c(OC)c2)cc1C.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-2H-azirine?
The InChIKey is JYQGVXYZYCDMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-11-8-12(6-7-14(11)21-2)17-18(20-17)13-9-15(22-3)19(24-5)16(10-13)23-4/h6-10,18H,1-5H3.
What are the key properties of 3-(4-methoxy-3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-2H-azirine?
3-(4-methoxy-3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-2H-azirine has a molecular weight of 327.38 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-2H-azirine is sourced from PubChem (CID 162655835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).