1-methyl-4-nitro-2-(2-phenylethenyl)benzene

C15H13NO2 — CID 816813

IUPAC1-methyl-4-nitro-2-(2-phenylethenyl)benzene
SMILESCc1ccc([N+](=O)[O-])cc1C=Cc1ccccc1
InChIInChI=1S/C15H13NO2/c1-12-7-10-15(16(17)18)11-14(12)9-8-13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyVFYZQOBAULRYDE-UHFFFAOYSA-N
MW239.27 g/mol
LogP4.07
Rot. Bonds3

About 1-methyl-4-nitro-2-(2-phenylethenyl)benzene

1-methyl-4-nitro-2-(2-phenylethenyl)benzene (PubChem CID 816813) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-methyl-4-nitro-2-(2-phenylethenyl)benzene.

Molecular Properties

Compound Name1-methyl-4-nitro-2-(2-phenylethenyl)benzene
PubChem CID816813
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name1-methyl-4-nitro-2-(2-phenylethenyl)benzene
SMILESCc1ccc([N+](=O)[O-])cc1C=Cc1ccccc1
InChIInChI=1S/C15H13NO2/c1-12-7-10-15(16(17)18)11-14(12)9-8-13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyVFYZQOBAULRYDE-UHFFFAOYSA-N
XLogP4.07
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 54.07
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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Related Compounds

N,N-dimethyl-2-(2-methyl-5-nitrophenyl)ethenamine
CID 123915141
5-nitro-2-[(E)-2-phenylethenyl]benzonitrile
CID 6255915
ethyl 4-nitro-2-[(E)-2-phenylethenyl]benzoate
CID 21190867
ethyl 4-nitro-2-(2-phenylethenyl)benzoate
CID 70188435
1-methyl-4-[(E)-2-(3-nitrophenyl)ethenyl]naphthalene
CID 100934830
2-methoxy-1-methyl-3-nitro-4-(2-phenylethenyl)benzene
CID 139827300
1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
CID 23386675
2-methyl-1-nitro-4-[(E)-2-phenylethenyl]benzene
CID 101353139
6-nitro-2-(2-phenylethenyl)quinoline
CID 54158128
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
5-nitro-2-(2-phenylethenyl)aniline;2,4,6-trinitrophenol
CID 2749348
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nitro-2-(2-phenylethenyl)benzene?
The IUPAC name of 1-methyl-4-nitro-2-(2-phenylethenyl)benzene (CID 816813) is 1-methyl-4-nitro-2-(2-phenylethenyl)benzene.
What is the SMILES notation for 1-methyl-4-nitro-2-(2-phenylethenyl)benzene?
The canonical SMILES for 1-methyl-4-nitro-2-(2-phenylethenyl)benzene is Cc1ccc([N+](=O)[O-])cc1C=Cc1ccccc1.
What is the InChIKey of 1-methyl-4-nitro-2-(2-phenylethenyl)benzene?
The InChIKey is VFYZQOBAULRYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-12-7-10-15(16(17)18)11-14(12)9-8-13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 1-methyl-4-nitro-2-(2-phenylethenyl)benzene?
1-methyl-4-nitro-2-(2-phenylethenyl)benzene has a molecular weight of 239.27 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitro-2-(2-phenylethenyl)benzene is sourced from PubChem (CID 816813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).