2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene

C16H15NO4 — CID 6000919

IUPAC2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)c(OC)c1
InChIInChI=1S/C16H15NO4/c1-20-15-10-7-13(16(11-15)21-2)6-3-12-4-8-14(9-5-12)17(18)19/h3-11H,1-2H3/b6-3+
InChIKeyZKOJHCNGICYBHV-ZZXKWVIFSA-N
MW285.30 g/mol
LogP3.78
Rot. Bonds5

About 2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene

2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene (PubChem CID 6000919) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene.

Molecular Properties

Compound Name2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
PubChem CID6000919
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)c(OC)c1
InChIInChI=1S/C16H15NO4/c1-20-15-10-7-13(16(11-15)21-2)6-3-12-4-8-14(9-5-12)17(18)19/h3-11H,1-2H3/b6-3+
InChIKeyZKOJHCNGICYBHV-ZZXKWVIFSA-N
XLogP3.78
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,4-dimethoxyphenyl)ethenyl]-2,4-dinitrobenzene
CID 4178347
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3,5-trinitrobenzene
CID 154881687
1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene
CID 67928044
N-(2,5-dimethoxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-imine
CID 4102744
1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 14256048
1-[(Z)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 6604874
1,4-dimethoxy-2-(4-nitrophenoxy)benzene
CID 58929090
4-chloro-6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinoline
CID 125496720
4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]benzenediazonium
CID 18996875
3-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
CID 1178404
2,4-dimethoxy-1-(4-nitrophenyl)benzene
CID 59205838
3-(2-methoxy-4-nitrophenyl)prop-2-enal
CID 169459664

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
The IUPAC name of 2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene (CID 6000919) is 2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene.
What is the SMILES notation for 2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
The canonical SMILES for 2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene is COc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
The InChIKey is ZKOJHCNGICYBHV-ZZXKWVIFSA-N. The full InChI is InChI=1S/C16H15NO4/c1-20-15-10-7-13(16(11-15)21-2)6-3-12-4-8-14(9-5-12)17(18)19/h3-11H,1-2H3/b6-3+.
What are the key properties of 2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene has a molecular weight of 285.30 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene is sourced from PubChem (CID 6000919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).