1-(2-nitro-3-phenylphenyl)ethanone

C14H11NO3 — CID 67871724

IUPAC1-(2-nitro-3-phenylphenyl)ethanone
SMILESCC(=O)c1cccc(-c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C14H11NO3/c1-10(16)12-8-5-9-13(14(12)15(17)18)11-6-3-2-4-7-11/h2-9H,1H3
InChIKeyXMJUALUYROSJCQ-UHFFFAOYSA-N
MW241.25 g/mol
LogP3.46
Rot. Bonds3

About 1-(2-nitro-3-phenylphenyl)ethanone

1-(2-nitro-3-phenylphenyl)ethanone (PubChem CID 67871724) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-(2-nitro-3-phenylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-nitro-3-phenylphenyl)ethanone
PubChem CID67871724
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name1-(2-nitro-3-phenylphenyl)ethanone
SMILESCC(=O)c1cccc(-c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C14H11NO3/c1-10(16)12-8-5-9-13(14(12)15(17)18)11-6-3-2-4-7-11/h2-9H,1H3
InChIKeyXMJUALUYROSJCQ-UHFFFAOYSA-N
XLogP3.46
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-nitro-3-phenylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitro-3-phenylphenyl)ethanone?
The IUPAC name of 1-(2-nitro-3-phenylphenyl)ethanone (CID 67871724) is 1-(2-nitro-3-phenylphenyl)ethanone.
What is the SMILES notation for 1-(2-nitro-3-phenylphenyl)ethanone?
The canonical SMILES for 1-(2-nitro-3-phenylphenyl)ethanone is CC(=O)c1cccc(-c2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of 1-(2-nitro-3-phenylphenyl)ethanone?
The InChIKey is XMJUALUYROSJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-10(16)12-8-5-9-13(14(12)15(17)18)11-6-3-2-4-7-11/h2-9H,1H3.
What are the key properties of 1-(2-nitro-3-phenylphenyl)ethanone?
1-(2-nitro-3-phenylphenyl)ethanone has a molecular weight of 241.25 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitro-3-phenylphenyl)ethanone is sourced from PubChem (CID 67871724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).