1-methoxy-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene

C15H13NO3 — CID 6440430

IUPAC1-methoxy-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene
SMILESCOc1cccc(/C=C/c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H13NO3/c1-19-15-4-2-3-13(11-15)6-5-12-7-9-14(10-8-12)16(17)18/h2-11H,1H3/b6-5+
InChIKeyZKWGCQHPGYOCSV-AATRIKPKSA-N
MW255.27 g/mol
LogP3.77
Rot. Bonds4

About 1-methoxy-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene

1-methoxy-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene (PubChem CID 6440430) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-methoxy-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-methoxy-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene
PubChem CID6440430
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name1-methoxy-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene
SMILESCOc1cccc(/C=C/c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H13NO3/c1-19-15-4-2-3-13(11-15)6-5-12-7-9-14(10-8-12)16(17)18/h2-11H,1H3/b6-5+
InChIKeyZKWGCQHPGYOCSV-AATRIKPKSA-N
XLogP3.77
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.77
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-methoxy-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
The IUPAC name of 1-methoxy-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene (CID 6440430) is 1-methoxy-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene.
What is the SMILES notation for 1-methoxy-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
The canonical SMILES for 1-methoxy-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene is COc1cccc(/C=C/c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 1-methoxy-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
The InChIKey is ZKWGCQHPGYOCSV-AATRIKPKSA-N. The full InChI is InChI=1S/C15H13NO3/c1-19-15-4-2-3-13(11-15)6-5-12-7-9-14(10-8-12)16(17)18/h2-11H,1H3/b6-5+.
What are the key properties of 1-methoxy-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
1-methoxy-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene has a molecular weight of 255.27 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene is sourced from PubChem (CID 6440430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).