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

C15H13NO2 — CID 101353139

IUPAC2-methyl-1-nitro-4-[(E)-2-phenylethenyl]benzene
SMILESCc1cc(/C=C/c2ccccc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H13NO2/c1-12-11-14(9-10-15(12)16(17)18)8-7-13-5-3-2-4-6-13/h2-11H,1H3/b8-7+
InChIKeyUJXLSMLCLCTJPQ-BQYQJAHWSA-N
MW239.27 g/mol
LogP4.07
Rot. Bonds3

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

2-methyl-1-nitro-4-[(E)-2-phenylethenyl]benzene (PubChem CID 101353139) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-methyl-1-nitro-4-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name2-methyl-1-nitro-4-[(E)-2-phenylethenyl]benzene
PubChem CID101353139
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-methyl-1-nitro-4-[(E)-2-phenylethenyl]benzene
SMILESCc1cc(/C=C/c2ccccc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H13NO2/c1-12-11-14(9-10-15(12)16(17)18)8-7-13-5-3-2-4-6-13/h2-11H,1H3/b8-7+
InChIKeyUJXLSMLCLCTJPQ-BQYQJAHWSA-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

3-(3-methyl-4-nitrophenyl)prop-2-enoic acid
CID 71380720
2-nitro-4-[(E)-2-phenylethenyl]-1-propylbenzene
CID 155679320
methyl 2-nitro-5-[(E)-2-phenylethenyl]benzoate
CID 5383028
(NE)-N-[(3-methyl-4-nitrophenyl)methylidene]hydroxylamine
CID 59034617
1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
CID 23386675
1-methyl-4-nitro-2-(2-phenylethenyl)benzene
CID 816813
4-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2-dimethylbenzene
CID 11000537
1-(3-methyl-4-nitrophenyl)-4-phenylpiperazine
CID 165348222
1,2-dimethoxy-4-nitro-5-[(E)-2-phenylethenyl]benzene
CID 101203170
2-methyl-4-[(E)-2-phenylethenyl]-1-[4-[(Z)-2-phenylethenyl]phenyl]benzene
CID 177422540
1-nitro-2,3-bis(2-phenylethenyl)benzene
CID 155903015
1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-nitro-4-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 2-methyl-1-nitro-4-[(E)-2-phenylethenyl]benzene (CID 101353139) is 2-methyl-1-nitro-4-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 2-methyl-1-nitro-4-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 2-methyl-1-nitro-4-[(E)-2-phenylethenyl]benzene is Cc1cc(/C=C/c2ccccc2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-1-nitro-4-[(E)-2-phenylethenyl]benzene?
The InChIKey is UJXLSMLCLCTJPQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H13NO2/c1-12-11-14(9-10-15(12)16(17)18)8-7-13-5-3-2-4-6-13/h2-11H,1H3/b8-7+.
What are the key properties of 2-methyl-1-nitro-4-[(E)-2-phenylethenyl]benzene?
2-methyl-1-nitro-4-[(E)-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 2-methyl-1-nitro-4-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 101353139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).