4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]benzenediazonium

C16H15N2O2+ — CID 18996875

IUPAC4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]benzenediazonium
SMILESCOc1ccc(/C=C/c2ccc([N+]#N)cc2)c(OC)c1
InChIInChI=1S/C16H15N2O2/c1-19-15-10-7-13(16(11-15)20-2)6-3-12-4-8-14(18-17)9-5-12/h3-11H,1-2H3/q+1/b6-3+
InChIKeyKQRZGARSJSNOAA-ZZXKWVIFSA-N
MW267.31 g/mol
LogP4.36
Rot. Bonds4

About 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]benzenediazonium

4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]benzenediazonium (PubChem CID 18996875) has the molecular formula C16H15N2O2+ and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]benzenediazonium.

Molecular Properties

Compound Name4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]benzenediazonium
PubChem CID18996875
Molecular FormulaC16H15N2O2+
Molecular Weight267.31 g/mol
Exact Mass267.11
IUPAC Name4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]benzenediazonium
SMILESCOc1ccc(/C=C/c2ccc([N+]#N)cc2)c(OC)c1
InChIInChI=1S/C16H15N2O2/c1-19-15-10-7-13(16(11-15)20-2)6-3-12-4-8-14(18-17)9-5-12/h3-11H,1-2H3/q+1/b6-3+
InChIKeyKQRZGARSJSNOAA-ZZXKWVIFSA-N
XLogP4.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 6604874
2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
CID 90666858
2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 6000919
1-[(Z)-2-[2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,4-dimethoxybenzene
CID 171376648
4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 72723773
2,4-dimethoxy-1-[(1E,3E)-penta-1,3-dienyl]benzene
CID 90326933
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol
CID 56681826
(E)-4-(2,4-dimethoxyphenyl)but-3-en-2-amine
CID 83350088
2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene
CID 68729529
1-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-(trifluoromethyl)benzene
CID 90670107
4-methoxy-2-[5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-1-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 70182871
1-[(E)-2-(2-bromo-3-methoxyphenyl)ethenyl]-2,4-dimethoxybenzene
CID 59502056

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]benzenediazonium?
The IUPAC name of 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]benzenediazonium (CID 18996875) is 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]benzenediazonium.
What is the SMILES notation for 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]benzenediazonium?
The canonical SMILES for 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]benzenediazonium is COc1ccc(/C=C/c2ccc([N+]#N)cc2)c(OC)c1.
What is the InChIKey of 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]benzenediazonium?
The InChIKey is KQRZGARSJSNOAA-ZZXKWVIFSA-N. The full InChI is InChI=1S/C16H15N2O2/c1-19-15-10-7-13(16(11-15)20-2)6-3-12-4-8-14(18-17)9-5-12/h3-11H,1-2H3/q+1/b6-3+.
What are the key properties of 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]benzenediazonium?
4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]benzenediazonium has a molecular weight of 267.31 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]benzenediazonium is sourced from PubChem (CID 18996875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).