1-(2-nitrophenyl)-2-(4-nitrophenyl)ethanone

C14H10N2O5 — CID 12844789

IUPAC1-(2-nitrophenyl)-2-(4-nitrophenyl)ethanone
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H10N2O5/c17-14(12-3-1-2-4-13(12)16(20)21)9-10-5-7-11(8-6-10)15(18)19/h1-8H,9H2
InChIKeyGJKOQQDAHBRMFX-UHFFFAOYSA-N
MW286.24 g/mol
LogP2.93
Rot. Bonds5

About 1-(2-nitrophenyl)-2-(4-nitrophenyl)ethanone

1-(2-nitrophenyl)-2-(4-nitrophenyl)ethanone (PubChem CID 12844789) has the molecular formula C14H10N2O5 and a molecular weight of 286.24 g/mol. Its IUPAC name is 1-(2-nitrophenyl)-2-(4-nitrophenyl)ethanone.

Molecular Properties

Compound Name1-(2-nitrophenyl)-2-(4-nitrophenyl)ethanone
PubChem CID12844789
Molecular FormulaC14H10N2O5
Molecular Weight286.24 g/mol
Exact Mass286.06
IUPAC Name1-(2-nitrophenyl)-2-(4-nitrophenyl)ethanone
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H10N2O5/c17-14(12-3-1-2-4-13(12)16(20)21)9-10-5-7-11(8-6-10)15(18)19/h1-8H,9H2
InChIKeyGJKOQQDAHBRMFX-UHFFFAOYSA-N
XLogP2.93
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(2-nitrophenyl)ethanone
CID 2750227
methyl 2-[2-(4-nitrophenyl)acetyl]benzoate
CID 71393749
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
potassium 2-(4-nitrophenyl)acetate
CID 15261201
[2-(2-nitrophenyl)-2-oxoethyl] nitrate
CID 71676932
1-(4-nitrophenyl)-2-[4-[4-[2-(4-nitrophenyl)-2-oxoethyl]phenyl]phenyl]ethanone
CID 159718467
2-methyl-3-nitro-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide
CID 17385895
2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-1-(2-nitrophenyl)ethanone
CID 147212323
2-(methylamino)-1-(2-nitrophenyl)ethanone
CID 23083587
1-(2-nitrophenyl)pentane-1,4-dione
CID 43608280
1-(5-methyl-2-nitrophenyl)-2-(4-methylphenyl)ethanone
CID 65462224

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)-2-(4-nitrophenyl)ethanone?
The IUPAC name of 1-(2-nitrophenyl)-2-(4-nitrophenyl)ethanone (CID 12844789) is 1-(2-nitrophenyl)-2-(4-nitrophenyl)ethanone.
What is the SMILES notation for 1-(2-nitrophenyl)-2-(4-nitrophenyl)ethanone?
The canonical SMILES for 1-(2-nitrophenyl)-2-(4-nitrophenyl)ethanone is O=C(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-nitrophenyl)-2-(4-nitrophenyl)ethanone?
The InChIKey is GJKOQQDAHBRMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O5/c17-14(12-3-1-2-4-13(12)16(20)21)9-10-5-7-11(8-6-10)15(18)19/h1-8H,9H2.
What are the key properties of 1-(2-nitrophenyl)-2-(4-nitrophenyl)ethanone?
1-(2-nitrophenyl)-2-(4-nitrophenyl)ethanone has a molecular weight of 286.24 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)-2-(4-nitrophenyl)ethanone is sourced from PubChem (CID 12844789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).