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

C15H13NO3 — CID 745105

IUPAC1-[(E)-2-(4-methoxyphenyl)ethenyl]-4-nitrobenzene
SMILESCOc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H13NO3/c1-19-15-10-6-13(7-11-15)3-2-12-4-8-14(9-5-12)16(17)18/h2-11H,1H3/b3-2+
InChIKeyPDFBJCRLHMEJQP-NSCUHMNNSA-N
MW255.27 g/mol
LogP3.77
Rot. Bonds4

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

1-[(E)-2-(4-methoxyphenyl)ethenyl]-4-nitrobenzene (PubChem CID 745105) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-[(E)-2-(4-methoxyphenyl)ethenyl]-4-nitrobenzene.

Molecular Properties

Compound Name1-[(E)-2-(4-methoxyphenyl)ethenyl]-4-nitrobenzene
PubChem CID745105
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name1-[(E)-2-(4-methoxyphenyl)ethenyl]-4-nitrobenzene
SMILESCOc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H13NO3/c1-19-15-10-6-13(7-11-15)3-2-12-4-8-14(9-5-12)16(17)18/h2-11H,1H3/b3-2+
InChIKeyPDFBJCRLHMEJQP-NSCUHMNNSA-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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Related Compounds

3-Methyl-4-nitroanisole
CID 79330
1-Methoxy-4-methyl-2-nitrobenzene
CID 67058
p-Nitrophenyl o-tolyl ether
CID 17123
4-Hydroxy-4'-nitrostilbene
CID 759250
4-Amino-4'-methoxystilbene
CID 5376491
4-Amino-4'-methoxybiphenyl
CID 2759564
Benzene, 2-methoxy-1-methyl-4-nitro-
CID 83159
Benzene, 1,4-dimethoxy-2-[2-(4-nitrophenyl)ethenyl]-
CID 84250
1,4-Dimethoxy-2-((1E)-2-(4-nitrophenyl)ethenyl)benzene
CID 5802007
p-(Benzyloxy)nitrobenzene
CID 70842
2-Nitro-4-trifluoromethylanisole
CID 96748
4-Nitrobenzyl phenyl ether
CID 99674

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-4-nitrobenzene?
The IUPAC name of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-4-nitrobenzene (CID 745105) is 1-[(E)-2-(4-methoxyphenyl)ethenyl]-4-nitrobenzene.
What is the SMILES notation for 1-[(E)-2-(4-methoxyphenyl)ethenyl]-4-nitrobenzene?
The canonical SMILES for 1-[(E)-2-(4-methoxyphenyl)ethenyl]-4-nitrobenzene is COc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-4-nitrobenzene?
The InChIKey is PDFBJCRLHMEJQP-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H13NO3/c1-19-15-10-6-13(7-11-15)3-2-12-4-8-14(9-5-12)16(17)18/h2-11H,1H3/b3-2+.
What are the key properties of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-4-nitrobenzene?
1-[(E)-2-(4-methoxyphenyl)ethenyl]-4-nitrobenzene 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-[(E)-2-(4-methoxyphenyl)ethenyl]-4-nitrobenzene is sourced from PubChem (CID 745105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).