2-(2-nitrophenoxy)-1-phenylethanone

C14H11NO4 — CID 3401039

IUPAC2-(2-nitrophenoxy)-1-phenylethanone
SMILESO=C(COc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C14H11NO4/c16-13(11-6-2-1-3-7-11)10-19-14-9-5-4-8-12(14)15(17)18/h1-9H,10H2
InChIKeyNJPUIIJXFYTYRK-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.86
Rot. Bonds5

About 2-(2-nitrophenoxy)-1-phenylethanone

2-(2-nitrophenoxy)-1-phenylethanone (PubChem CID 3401039) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-1-phenylethanone.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-1-phenylethanone
PubChem CID3401039
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name2-(2-nitrophenoxy)-1-phenylethanone
SMILESO=C(COc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C14H11NO4/c16-13(11-6-2-1-3-7-11)10-19-14-9-5-4-8-12(14)15(17)18/h1-9H,10H2
InChIKeyNJPUIIJXFYTYRK-UHFFFAOYSA-N
XLogP2.86
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-1-phenylethanone?
The IUPAC name of 2-(2-nitrophenoxy)-1-phenylethanone (CID 3401039) is 2-(2-nitrophenoxy)-1-phenylethanone.
What is the SMILES notation for 2-(2-nitrophenoxy)-1-phenylethanone?
The canonical SMILES for 2-(2-nitrophenoxy)-1-phenylethanone is O=C(COc1ccccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of 2-(2-nitrophenoxy)-1-phenylethanone?
The InChIKey is NJPUIIJXFYTYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c16-13(11-6-2-1-3-7-11)10-19-14-9-5-4-8-12(14)15(17)18/h1-9H,10H2.
What are the key properties of 2-(2-nitrophenoxy)-1-phenylethanone?
2-(2-nitrophenoxy)-1-phenylethanone has a molecular weight of 257.25 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-1-phenylethanone is sourced from PubChem (CID 3401039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).