5-[2-(4-azido-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene

C18H19N3O4 — CID 54425378

IUPAC5-[2-(4-azido-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
SMILESCOc1cc(C=Cc2cc(OC)c(OC)c(OC)c2)ccc1N=[N+]=[N-]
InChIInChI=1S/C18H19N3O4/c1-22-15-9-12(7-8-14(15)20-21-19)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3/h5-11H,1-4H3
InChIKeyWDSBQVDSBBOEOV-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.83
Rot. Bonds7

About 5-[2-(4-azido-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene

5-[2-(4-azido-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene (PubChem CID 54425378) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-[2-(4-azido-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[2-(4-azido-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
PubChem CID54425378
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name5-[2-(4-azido-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
SMILESCOc1cc(C=Cc2cc(OC)c(OC)c(OC)c2)ccc1N=[N+]=[N-]
InChIInChI=1S/C18H19N3O4/c1-22-15-9-12(7-8-14(15)20-21-19)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3/h5-11H,1-4H3
InChIKeyWDSBQVDSBBOEOV-UHFFFAOYSA-N
XLogP4.83
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1,2,3-trimethoxy-5-[(Z)-2-(4-methoxy-3-nitrosophenyl)ethenyl]benzene
CID 88896043
1-azido-2-methoxy-4-methylbenzene
CID 152671087
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 53415045
5-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 175460440
5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;phosphoric acid
CID 69301542
5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 59348795
1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene
CID 155816049
2-methyl-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 19688317
5-[(Z)-2-[3-(2-bromoethoxy)-4-methoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 56935715
1,2,3-trimethoxy-5-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 6296346
1,2,3,4,5-pentabromo-6-[2-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]ethenyl]benzene
CID 141245082
N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 54188943

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-azido-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[2-(4-azido-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene (CID 54425378) is 5-[2-(4-azido-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[2-(4-azido-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[2-(4-azido-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene is COc1cc(C=Cc2cc(OC)c(OC)c(OC)c2)ccc1N=[N+]=[N-].
What is the InChIKey of 5-[2-(4-azido-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
The InChIKey is WDSBQVDSBBOEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-22-15-9-12(7-8-14(15)20-21-19)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3/h5-11H,1-4H3.
What are the key properties of 5-[2-(4-azido-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
5-[2-(4-azido-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene has a molecular weight of 341.37 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-azido-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 54425378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).