2-(4-nitrophenoxy)-1-thiophen-2-ylethanone

C12H9NO4S — CID 60625574

IUPAC2-(4-nitrophenoxy)-1-thiophen-2-ylethanone
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)c1cccs1
InChIInChI=1S/C12H9NO4S/c14-11(12-2-1-7-18-12)8-17-10-5-3-9(4-6-10)13(15)16/h1-7H,8H2
InChIKeyOEARXIDNNJJMMY-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.92
Rot. Bonds5

About 2-(4-nitrophenoxy)-1-thiophen-2-ylethanone

2-(4-nitrophenoxy)-1-thiophen-2-ylethanone (PubChem CID 60625574) has the molecular formula C12H9NO4S and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-1-thiophen-2-ylethanone
PubChem CID60625574
Molecular FormulaC12H9NO4S
Molecular Weight263.27 g/mol
Exact Mass263.03
IUPAC Name2-(4-nitrophenoxy)-1-thiophen-2-ylethanone
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)c1cccs1
InChIInChI=1S/C12H9NO4S/c14-11(12-2-1-7-18-12)8-17-10-5-3-9(4-6-10)13(15)16/h1-7H,8H2
InChIKeyOEARXIDNNJJMMY-UHFFFAOYSA-N
XLogP2.92
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.92
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

2-(4-ethylphenoxy)-1-thiophen-2-ylethanone
CID 43412734
2-[4-(2-oxo-2-thiophen-2-ylethoxy)phenyl]acetonitrile
CID 60624193
2-(4-nitrophenyl)sulfinyl-1-thiophen-2-ylethanone
CID 64640924
2-(3,4-dimethylphenoxy)-1-thiophen-2-ylethanone
CID 43412330
2-(2-fluoro-6-nitrophenoxy)-1-thiophen-2-ylethanone
CID 113458289
1-(2-bromophenyl)-2-(4-nitrophenoxy)ethanone
CID 60625570
(2-oxo-2-thiophen-2-ylethyl) 2-(4-nitrophenyl)sulfanylbenzoate
CID 126188006
2-(4-nitrophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5428360
N'-[2-(4-nitrophenoxy)acetyl]-3-thiophen-2-ylprop-2-enehydrazide
CID 3392985
4-(4-nitrophenyl)sulfanyl-1-thiophen-2-ylbutan-1-one
CID 43793889
(2-oxo-2-thiophen-2-ylethyl) 4-(2-amino-2-oxoethoxy)benzoate
CID 8678423
2-(2,3-dihydro-1H-inden-5-yloxy)-1-thiophen-2-ylethanone
CID 43411849

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(4-nitrophenoxy)-1-thiophen-2-ylethanone (CID 60625574) is 2-(4-nitrophenoxy)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(4-nitrophenoxy)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(4-nitrophenoxy)-1-thiophen-2-ylethanone is O=C(COc1ccc([N+](=O)[O-])cc1)c1cccs1.
What is the InChIKey of 2-(4-nitrophenoxy)-1-thiophen-2-ylethanone?
The InChIKey is OEARXIDNNJJMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO4S/c14-11(12-2-1-7-18-12)8-17-10-5-3-9(4-6-10)13(15)16/h1-7H,8H2.
What are the key properties of 2-(4-nitrophenoxy)-1-thiophen-2-ylethanone?
2-(4-nitrophenoxy)-1-thiophen-2-ylethanone has a molecular weight of 263.27 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-1-thiophen-2-ylethanone is sourced from PubChem (CID 60625574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).