2-(2-nitrophenyl)-1-phenylethanone

C14H11NO3 — CID 2754368

IUPAC2-(2-nitrophenyl)-1-phenylethanone
SMILESO=C(Cc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C14H11NO3/c16-14(11-6-2-1-3-7-11)10-12-8-4-5-9-13(12)15(17)18/h1-9H,10H2
InChIKeyFUWAHGXIDHERGQ-UHFFFAOYSA-N
MW241.25 g/mol
LogP3.02
Rot. Bonds4

About 2-(2-nitrophenyl)-1-phenylethanone

2-(2-nitrophenyl)-1-phenylethanone (PubChem CID 2754368) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-1-phenylethanone.

Molecular Properties

Compound Name2-(2-nitrophenyl)-1-phenylethanone
PubChem CID2754368
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name2-(2-nitrophenyl)-1-phenylethanone
SMILESO=C(Cc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C14H11NO3/c16-14(11-6-2-1-3-7-11)10-12-8-4-5-9-13(12)15(17)18/h1-9H,10H2
InChIKeyFUWAHGXIDHERGQ-UHFFFAOYSA-N
XLogP3.02
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.02
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'}

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Related Compounds

2-(2,4-dinitro-5-phenacylphenyl)-1-phenylethanone
CID 2748910
1,2-bis(2-nitrophenyl)ethanone
CID 2750227
2-(4-bromo-2-nitrophenyl)-1-phenylethanone
CID 63198831
2-(4-iodo-2-nitrophenyl)-1-phenylethanone
CID 66080564
1-(3,4-dimethylphenyl)-2-(2-nitrophenyl)ethanone
CID 61055483
2-(5-bromo-2,4-dinitrophenyl)-1-phenylethanone
CID 135005070
1-(2-fluorophenyl)-2-(2-nitrophenyl)ethanone
CID 12909590
acetic acid;(NE)-N-[2-(2-nitrophenyl)-1-phenylethylidene]hydroxylamine
CID 19784525
1-(3-bromo-5-fluorophenyl)-2-(2-nitrophenyl)ethanone
CID 61056068
2-(2-nitrophenyl)-N,1-diphenylethanimine
CID 141478999
2-(2-nitrophenyl)-N-oxoacetamide
CID 174738474
[3-(2-nitrophenyl)-2-oxopropyl]azanium
CID 143919677

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-1-phenylethanone?
The IUPAC name of 2-(2-nitrophenyl)-1-phenylethanone (CID 2754368) is 2-(2-nitrophenyl)-1-phenylethanone.
What is the SMILES notation for 2-(2-nitrophenyl)-1-phenylethanone?
The canonical SMILES for 2-(2-nitrophenyl)-1-phenylethanone is O=C(Cc1ccccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of 2-(2-nitrophenyl)-1-phenylethanone?
The InChIKey is FUWAHGXIDHERGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c16-14(11-6-2-1-3-7-11)10-12-8-4-5-9-13(12)15(17)18/h1-9H,10H2.
What are the key properties of 2-(2-nitrophenyl)-1-phenylethanone?
2-(2-nitrophenyl)-1-phenylethanone has a molecular weight of 241.25 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-1-phenylethanone is sourced from PubChem (CID 2754368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).