1-nitro-4-[(E)-2-phenylethenyl]benzene

C14H11NO2 — CID 639659

IUPAC1-nitro-4-[(E)-2-phenylethenyl]benzene
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C14H11NO2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+
InChIKeyZISCOWXWCHUSMH-VOTSOKGWSA-N
MW225.25 g/mol
LogP3.77
Rot. Bonds3

About 1-nitro-4-[(E)-2-phenylethenyl]benzene

1-nitro-4-[(E)-2-phenylethenyl]benzene (PubChem CID 639659) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-nitro-4-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name1-nitro-4-[(E)-2-phenylethenyl]benzene
PubChem CID639659
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name1-nitro-4-[(E)-2-phenylethenyl]benzene
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C14H11NO2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+
InChIKeyZISCOWXWCHUSMH-VOTSOKGWSA-N
XLogP3.77
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-nitro-4-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 1-nitro-4-[(E)-2-phenylethenyl]benzene (CID 639659) is 1-nitro-4-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 1-nitro-4-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 1-nitro-4-[(E)-2-phenylethenyl]benzene is O=[N+]([O-])c1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-nitro-4-[(E)-2-phenylethenyl]benzene?
The InChIKey is ZISCOWXWCHUSMH-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H11NO2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+.
What are the key properties of 1-nitro-4-[(E)-2-phenylethenyl]benzene?
1-nitro-4-[(E)-2-phenylethenyl]benzene has a molecular weight of 225.25 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-4-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 639659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).