1-[2-(2-bromophenyl)ethenyl]-4-methyl-2-nitrobenzene

C15H12BrNO2 — CID 818054

IUPAC1-[2-(2-bromophenyl)ethenyl]-4-methyl-2-nitrobenzene
SMILESCc1ccc(C=Cc2ccccc2Br)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12BrNO2/c1-11-6-7-13(15(10-11)17(18)19)9-8-12-4-2-3-5-14(12)16/h2-10H,1H3
InChIKeyCXRDFLIUNBPIKV-UHFFFAOYSA-N
MW318.17 g/mol
LogP4.84
Rot. Bonds3

About 1-[2-(2-bromophenyl)ethenyl]-4-methyl-2-nitrobenzene

1-[2-(2-bromophenyl)ethenyl]-4-methyl-2-nitrobenzene (PubChem CID 818054) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)ethenyl]-4-methyl-2-nitrobenzene.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)ethenyl]-4-methyl-2-nitrobenzene
PubChem CID818054
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name1-[2-(2-bromophenyl)ethenyl]-4-methyl-2-nitrobenzene
SMILESCc1ccc(C=Cc2ccccc2Br)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12BrNO2/c1-11-6-7-13(15(10-11)17(18)19)9-8-12-4-2-3-5-14(12)16/h2-10H,1H3
InChIKeyCXRDFLIUNBPIKV-UHFFFAOYSA-N
XLogP4.84
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 54.84
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

1-[(E)-2-(2-bromophenyl)ethenyl]-4-chloro-2-nitrobenzene
CID 10712090
1-[2-(2-bromophenyl)ethenyl]-4-methoxy-2-nitrobenzene
CID 53434856
1-[2-(4-chloro-2-nitrophenyl)ethenyl]-4-methyl-2-nitrobenzene
CID 54507727
1-[(E)-2-(4-chloro-2-nitrophenyl)ethenyl]-4-methyl-2-nitrobenzene
CID 21446805
1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
CID 95239992
2-(2-bromophenoxy)-4-methyl-1-nitrobenzene
CID 75356396
1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene
CID 6106908
methyl (E)-3-(2-bromo-4-methylphenyl)-2-(2-nitrophenyl)prop-2-enoate
CID 54770542
1,4-dimethyl-2-nitrobenzene
CID 20849377
1-bromo-2-nitrobenzene;ethane
CID 91072043
(E)-4-(4-bromo-2-nitrophenyl)but-3-en-2-one
CID 114385821
1-bromo-2-nitrobenzene
CID 158366116

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)ethenyl]-4-methyl-2-nitrobenzene?
The IUPAC name of 1-[2-(2-bromophenyl)ethenyl]-4-methyl-2-nitrobenzene (CID 818054) is 1-[2-(2-bromophenyl)ethenyl]-4-methyl-2-nitrobenzene.
What is the SMILES notation for 1-[2-(2-bromophenyl)ethenyl]-4-methyl-2-nitrobenzene?
The canonical SMILES for 1-[2-(2-bromophenyl)ethenyl]-4-methyl-2-nitrobenzene is Cc1ccc(C=Cc2ccccc2Br)c([N+](=O)[O-])c1.
What is the InChIKey of 1-[2-(2-bromophenyl)ethenyl]-4-methyl-2-nitrobenzene?
The InChIKey is CXRDFLIUNBPIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2/c1-11-6-7-13(15(10-11)17(18)19)9-8-12-4-2-3-5-14(12)16/h2-10H,1H3.
What are the key properties of 1-[2-(2-bromophenyl)ethenyl]-4-methyl-2-nitrobenzene?
1-[2-(2-bromophenyl)ethenyl]-4-methyl-2-nitrobenzene has a molecular weight of 318.17 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)ethenyl]-4-methyl-2-nitrobenzene is sourced from PubChem (CID 818054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).