2-(dichloromethyl)-1-nitro-4-phenylbenzene

C13H9Cl2NO2 — CID 11022348

IUPAC2-(dichloromethyl)-1-nitro-4-phenylbenzene
SMILESO=[N+]([O-])c1ccc(-c2ccccc2)cc1C(Cl)Cl
InChIInChI=1S/C13H9Cl2NO2/c14-13(15)11-8-10(6-7-12(11)16(17)18)9-4-2-1-3-5-9/h1-8,13H
InChIKeyGGSNBLBZWVQQEQ-UHFFFAOYSA-N
MW282.13 g/mol
LogP4.74
Rot. Bonds3

About 2-(dichloromethyl)-1-nitro-4-phenylbenzene

2-(dichloromethyl)-1-nitro-4-phenylbenzene (PubChem CID 11022348) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is 2-(dichloromethyl)-1-nitro-4-phenylbenzene.

Molecular Properties

Compound Name2-(dichloromethyl)-1-nitro-4-phenylbenzene
PubChem CID11022348
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Name2-(dichloromethyl)-1-nitro-4-phenylbenzene
SMILESO=[N+]([O-])c1ccc(-c2ccccc2)cc1C(Cl)Cl
InChIInChI=1S/C13H9Cl2NO2/c14-13(15)11-8-10(6-7-12(11)16(17)18)9-4-2-1-3-5-9/h1-8,13H
InChIKeyGGSNBLBZWVQQEQ-UHFFFAOYSA-N
XLogP4.74
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[5-(4-methylphenyl)-2-nitrophenyl]ethanol
CID 177352423
2-ethynyl-1-nitro-4-phenylbenzene
CID 176548417
1-methyl-2-nitro-4-phenylbenzene
CID 12909826
2-nitro-4-phenylphenol
CID 13447
1-[5-(4-methoxyphenyl)-2-nitrophenyl]ethanol
CID 177352466
ethane;2-nitro-4-phenylphenol
CID 142062484
4-chloro-2-nitro-1-(4-phenylphenyl)benzene
CID 153490333
4-bromo-1-nitro-2-(4-phenylphenyl)benzene
CID 144601418
1-(2-nitro-4-phenylphenyl)-4-phenylnaphthalene
CID 90215701
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
2-nitro-4-phenyl-N-(2-propan-2-ylphenyl)aniline
CID 86729144

Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)-1-nitro-4-phenylbenzene?
The IUPAC name of 2-(dichloromethyl)-1-nitro-4-phenylbenzene (CID 11022348) is 2-(dichloromethyl)-1-nitro-4-phenylbenzene.
What is the SMILES notation for 2-(dichloromethyl)-1-nitro-4-phenylbenzene?
The canonical SMILES for 2-(dichloromethyl)-1-nitro-4-phenylbenzene is O=[N+]([O-])c1ccc(-c2ccccc2)cc1C(Cl)Cl.
What is the InChIKey of 2-(dichloromethyl)-1-nitro-4-phenylbenzene?
The InChIKey is GGSNBLBZWVQQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2/c14-13(15)11-8-10(6-7-12(11)16(17)18)9-4-2-1-3-5-9/h1-8,13H.
What are the key properties of 2-(dichloromethyl)-1-nitro-4-phenylbenzene?
2-(dichloromethyl)-1-nitro-4-phenylbenzene has a molecular weight of 282.13 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)-1-nitro-4-phenylbenzene is sourced from PubChem (CID 11022348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).