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

C15H13NO3 — CID 73187719

IUPAC1-[2-(4-methoxyphenyl)ethenyl]-2-nitrobenzene
SMILESCOc1ccc(C=Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H13NO3/c1-19-14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)16(17)18/h2-11H,1H3
InChIKeyYZSODPSSLMFDTK-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.77
Rot. Bonds4

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

1-[2-(4-methoxyphenyl)ethenyl]-2-nitrobenzene (PubChem CID 73187719) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethenyl]-2-nitrobenzene.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethenyl]-2-nitrobenzene
PubChem CID73187719
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name1-[2-(4-methoxyphenyl)ethenyl]-2-nitrobenzene
SMILESCOc1ccc(C=Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H13NO3/c1-19-14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)16(17)18/h2-11H,1H3
InChIKeyYZSODPSSLMFDTK-UHFFFAOYSA-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

[4-[2-(2-nitrophenyl)ethenyl]phenyl] acetate
CID 66627035
N,N-dimethyl-3-[4-[(E)-2-(2-nitrophenyl)ethenyl]phenoxy]propan-1-amine
CID 118960630
1,2-dimethoxy-4-[2-[3-[2-(2-nitrophenyl)ethenyl]-5-[2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 154194561
N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine
CID 520164
1-[3-(4-methoxyphenyl)-3-[1-(4-methoxyphenyl)-3-(2-nitrophenyl)prop-2-enyl]sulfonylprop-1-enyl]-2-nitrobenzene
CID 173033126
1-[(E)-3-(4-methoxyphenyl)-3-[(E)-1-(4-methoxyphenyl)-3-(2-nitrophenyl)prop-2-enyl]sulfonylprop-1-enyl]-2-nitrobenzene
CID 87211098
1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene
CID 67928044
4-[(E)-2-(2-nitrophenyl)ethenyl]benzonitrile
CID 155931404
1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-4-methoxy-2-nitrobenzene
CID 25050646
1,2-dimethoxy-4-nitro-5-[(E)-2-phenylethenyl]benzene
CID 101203170
1-[2-(2-bromophenyl)ethenyl]-4-methoxy-2-nitrobenzene
CID 53434856
1-nitro-2,3-bis(2-phenylethenyl)benzene
CID 155903015

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethenyl]-2-nitrobenzene?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethenyl]-2-nitrobenzene (CID 73187719) is 1-[2-(4-methoxyphenyl)ethenyl]-2-nitrobenzene.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethenyl]-2-nitrobenzene?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethenyl]-2-nitrobenzene is COc1ccc(C=Cc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethenyl]-2-nitrobenzene?
The InChIKey is YZSODPSSLMFDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-19-14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)16(17)18/h2-11H,1H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethenyl]-2-nitrobenzene?
1-[2-(4-methoxyphenyl)ethenyl]-2-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-[2-(4-methoxyphenyl)ethenyl]-2-nitrobenzene is sourced from PubChem (CID 73187719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).