2-(2-chloro-4-nitrophenoxy)-1-(5-chlorothiophen-2-yl)ethanone

C12H7Cl2NO4S — CID 2510894

IUPAC2-(2-chloro-4-nitrophenoxy)-1-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)s1
InChIInChI=1S/C12H7Cl2NO4S/c13-8-5-7(15(17)18)1-2-10(8)19-6-9(16)11-3-4-12(14)20-11/h1-5H,6H2
InChIKeyAERXOXZOZKPFCK-UHFFFAOYSA-N
MW332.16 g/mol
LogP4.22
Rot. Bonds5

About 2-(2-chloro-4-nitrophenoxy)-1-(5-chlorothiophen-2-yl)ethanone

2-(2-chloro-4-nitrophenoxy)-1-(5-chlorothiophen-2-yl)ethanone (PubChem CID 2510894) has the molecular formula C12H7Cl2NO4S and a molecular weight of 332.16 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-1-(5-chlorothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-1-(5-chlorothiophen-2-yl)ethanone
PubChem CID2510894
Molecular FormulaC12H7Cl2NO4S
Molecular Weight332.16 g/mol
Exact Mass330.95
IUPAC Name2-(2-chloro-4-nitrophenoxy)-1-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)s1
InChIInChI=1S/C12H7Cl2NO4S/c13-8-5-7(15(17)18)1-2-10(8)19-6-9(16)11-3-4-12(14)20-11/h1-5H,6H2
InChIKeyAERXOXZOZKPFCK-UHFFFAOYSA-N
XLogP4.22
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 54.22
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-bromo-2-chlorophenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 60624989
4-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 3948811
2-(2-chloro-4-nitrophenoxy)-1-(furan-2-yl)ethanone
CID 60626106
1-(3-bromophenyl)-2-(2-chloro-4-nitrophenoxy)ethanone
CID 7873660
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] (2R)-2-[(2-chloro-5-nitrobenzoyl)amino]-3-methylbutanoate
CID 2571545
2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
CID 18074297
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 2490622
4-(2-chloro-4-nitrophenoxy)butan-2-one
CID 60666840
(Z)-3-chloro-4-(2-chloro-4-nitrophenoxy)but-2-en-1-amine
CID 42624284
2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide
CID 4314611
2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide
CID 3314376
2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 7865843

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-1-(5-chlorothiophen-2-yl)ethanone?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-1-(5-chlorothiophen-2-yl)ethanone (CID 2510894) is 2-(2-chloro-4-nitrophenoxy)-1-(5-chlorothiophen-2-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-1-(5-chlorothiophen-2-yl)ethanone?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-1-(5-chlorothiophen-2-yl)ethanone is O=C(COc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)s1.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-1-(5-chlorothiophen-2-yl)ethanone?
The InChIKey is AERXOXZOZKPFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO4S/c13-8-5-7(15(17)18)1-2-10(8)19-6-9(16)11-3-4-12(14)20-11/h1-5H,6H2.
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-1-(5-chlorothiophen-2-yl)ethanone?
2-(2-chloro-4-nitrophenoxy)-1-(5-chlorothiophen-2-yl)ethanone has a molecular weight of 332.16 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenoxy)-1-(5-chlorothiophen-2-yl)ethanone is sourced from PubChem (CID 2510894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).