1-[(E)-2-(4-ethoxyphenyl)ethenyl]-4-nitrobenzene

C16H15NO3 — CID 6050842

IUPAC1-[(E)-2-(4-ethoxyphenyl)ethenyl]-4-nitrobenzene
SMILESCCOc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H15NO3/c1-2-20-16-11-7-14(8-12-16)4-3-13-5-9-15(10-6-13)17(18)19/h3-12H,2H2,1H3/b4-3+
InChIKeyOMQWWRBNFWPIRR-ONEGZZNKSA-N
MW269.30 g/mol
LogP4.16
Rot. Bonds5

About 1-[(E)-2-(4-ethoxyphenyl)ethenyl]-4-nitrobenzene

1-[(E)-2-(4-ethoxyphenyl)ethenyl]-4-nitrobenzene (PubChem CID 6050842) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[(E)-2-(4-ethoxyphenyl)ethenyl]-4-nitrobenzene.

Molecular Properties

Compound Name1-[(E)-2-(4-ethoxyphenyl)ethenyl]-4-nitrobenzene
PubChem CID6050842
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name1-[(E)-2-(4-ethoxyphenyl)ethenyl]-4-nitrobenzene
SMILESCCOc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H15NO3/c1-2-20-16-11-7-14(8-12-16)4-3-13-5-9-15(10-6-13)17(18)19/h3-12H,2H2,1H3/b4-3+
InChIKeyOMQWWRBNFWPIRR-ONEGZZNKSA-N
XLogP4.16
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-ethoxyphenyl)ethenyl]-4-nitrobenzene?
The IUPAC name of 1-[(E)-2-(4-ethoxyphenyl)ethenyl]-4-nitrobenzene (CID 6050842) is 1-[(E)-2-(4-ethoxyphenyl)ethenyl]-4-nitrobenzene.
What is the SMILES notation for 1-[(E)-2-(4-ethoxyphenyl)ethenyl]-4-nitrobenzene?
The canonical SMILES for 1-[(E)-2-(4-ethoxyphenyl)ethenyl]-4-nitrobenzene is CCOc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 1-[(E)-2-(4-ethoxyphenyl)ethenyl]-4-nitrobenzene?
The InChIKey is OMQWWRBNFWPIRR-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H15NO3/c1-2-20-16-11-7-14(8-12-16)4-3-13-5-9-15(10-6-13)17(18)19/h3-12H,2H2,1H3/b4-3+.
What are the key properties of 1-[(E)-2-(4-ethoxyphenyl)ethenyl]-4-nitrobenzene?
1-[(E)-2-(4-ethoxyphenyl)ethenyl]-4-nitrobenzene has a molecular weight of 269.30 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-ethoxyphenyl)ethenyl]-4-nitrobenzene is sourced from PubChem (CID 6050842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).