1-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)ethanone

C14H9Cl2NO4 — CID 60625571

IUPAC1-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)ethanone
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H9Cl2NO4/c15-9-1-6-13(16)12(7-9)14(18)8-21-11-4-2-10(3-5-11)17(19)20/h1-7H,8H2
InChIKeyFZTAFPBKCPXNAM-UHFFFAOYSA-N
MW326.14 g/mol
LogP4.16
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)ethanone

1-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)ethanone (PubChem CID 60625571) has the molecular formula C14H9Cl2NO4 and a molecular weight of 326.14 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)ethanone
PubChem CID60625571
Molecular FormulaC14H9Cl2NO4
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC Name1-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)ethanone
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H9Cl2NO4/c15-9-1-6-13(16)12(7-9)14(18)8-21-11-4-2-10(3-5-11)17(19)20/h1-7H,8H2
InChIKeyFZTAFPBKCPXNAM-UHFFFAOYSA-N
XLogP4.16
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 54.16
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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Related Compounds

1-(2,5-dichlorophenyl)-2-(4-ethoxyphenoxy)ethanone
CID 43411639
N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632332
2-(3,5-dichlorophenoxy)-1-(4-nitrophenyl)ethanone
CID 60623975
2-(4-nitrophenoxy)-1-(2,3,4,5-tetramethylphenyl)ethanone
CID 7816781
1-(2-bromophenyl)-2-(4-nitrophenoxy)ethanone
CID 60625570
2-(3,4-difluorophenoxy)-1-(4-nitrophenyl)ethanone
CID 43612540
N-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 2832007
4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile
CID 7818712
2-(3-chloro-4-fluorophenoxy)-N-(4-nitrophenyl)acetamide
CID 8579924
2-(3,4-dichlorophenoxy)-1-(3-nitrophenyl)ethanone
CID 18184732
N-(2,5-dichlorophenyl)-4-[(4-nitrophenoxy)methyl]benzamide
CID 1229718
N-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide
CID 24552477

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)ethanone?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)ethanone (CID 60625571) is 1-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)ethanone.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)ethanone?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)ethanone is O=C(COc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)ethanone?
The InChIKey is FZTAFPBKCPXNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO4/c15-9-1-6-13(16)12(7-9)14(18)8-21-11-4-2-10(3-5-11)17(19)20/h1-7H,8H2.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)ethanone?
1-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)ethanone has a molecular weight of 326.14 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)ethanone is sourced from PubChem (CID 60625571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).