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

C17H17NO3 — CID 162651570

IUPAC3-phenyl-2-(3,4,5-trimethoxyphenyl)-2H-azirine
SMILESCOc1cc(C2N=C2c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C17H17NO3/c1-19-13-9-12(10-14(20-2)17(13)21-3)16-15(18-16)11-7-5-4-6-8-11/h4-10,16H,1-3H3
InChIKeyDTXCRCDEDSEVMA-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.26
Rot. Bonds5

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

3-phenyl-2-(3,4,5-trimethoxyphenyl)-2H-azirine (PubChem CID 162651570) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-phenyl-2-(3,4,5-trimethoxyphenyl)-2H-azirine.

Molecular Properties

Compound Name3-phenyl-2-(3,4,5-trimethoxyphenyl)-2H-azirine
PubChem CID162651570
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3-phenyl-2-(3,4,5-trimethoxyphenyl)-2H-azirine
SMILESCOc1cc(C2N=C2c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C17H17NO3/c1-19-13-9-12(10-14(20-2)17(13)21-3)16-15(18-16)11-7-5-4-6-8-11/h4-10,16H,1-3H3
InChIKeyDTXCRCDEDSEVMA-UHFFFAOYSA-N
XLogP3.26
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-((3,4-Dimethoxyphenyl)methyl)-3,4-dihydro-6,7-dimethoxyisoquinoline
CID 22176
6,7-Dimethoxy-1-phenyl-3,4-dihydroisoquinoline
CID 622378
6,7-Dimethoxy-1-(4-methoxyphenyl)-3,4-dihydroisoquinoline
CID 872504
6,7-Dimethoxy-1-(2-phenylethyl)-3,4-dihydroisoquinoline
CID 3766962
2-Methoxy-5-(3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1h-pyrazol-5-yl) phenol
CID 23661691
Methyl 5-(3-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carboxylate
CID 141733348
Methyl 5-(3-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carboxylate
CID 141733355
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
2-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-azirine
CID 162651791
3-(4-methoxy-3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-2H-azirine
CID 162655835

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(3,4,5-trimethoxyphenyl)-2H-azirine?
The IUPAC name of 3-phenyl-2-(3,4,5-trimethoxyphenyl)-2H-azirine (CID 162651570) is 3-phenyl-2-(3,4,5-trimethoxyphenyl)-2H-azirine.
What is the SMILES notation for 3-phenyl-2-(3,4,5-trimethoxyphenyl)-2H-azirine?
The canonical SMILES for 3-phenyl-2-(3,4,5-trimethoxyphenyl)-2H-azirine is COc1cc(C2N=C2c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3-phenyl-2-(3,4,5-trimethoxyphenyl)-2H-azirine?
The InChIKey is DTXCRCDEDSEVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-19-13-9-12(10-14(20-2)17(13)21-3)16-15(18-16)11-7-5-4-6-8-11/h4-10,16H,1-3H3.
What are the key properties of 3-phenyl-2-(3,4,5-trimethoxyphenyl)-2H-azirine?
3-phenyl-2-(3,4,5-trimethoxyphenyl)-2H-azirine has a molecular weight of 283.33 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(3,4,5-trimethoxyphenyl)-2H-azirine is sourced from PubChem (CID 162651570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).