2-(2-chloro-6-nitrophenoxy)-1-(3-chlorophenyl)ethanone

C14H9Cl2NO4 — CID 103764433

IUPAC2-(2-chloro-6-nitrophenoxy)-1-(3-chlorophenyl)ethanone
SMILESO=C(COc1c(Cl)cccc1[N+](=O)[O-])c1cccc(Cl)c1
InChIInChI=1S/C14H9Cl2NO4/c15-10-4-1-3-9(7-10)13(18)8-21-14-11(16)5-2-6-12(14)17(19)20/h1-7H,8H2
InChIKeyTTYNOTTYMJJHJO-UHFFFAOYSA-N
MW326.13 g/mol
LogP4.16
Rot. Bonds5

About 2-(2-chloro-6-nitrophenoxy)-1-(3-chlorophenyl)ethanone

2-(2-chloro-6-nitrophenoxy)-1-(3-chlorophenyl)ethanone (PubChem CID 103764433) has the molecular formula C14H9Cl2NO4 and a molecular weight of 326.13 g/mol. Its IUPAC name is 2-(2-chloro-6-nitrophenoxy)-1-(3-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-nitrophenoxy)-1-(3-chlorophenyl)ethanone
PubChem CID103764433
Molecular FormulaC14H9Cl2NO4
Molecular Weight326.13 g/mol
Exact Mass324.99
IUPAC Name2-(2-chloro-6-nitrophenoxy)-1-(3-chlorophenyl)ethanone
SMILESO=C(COc1c(Cl)cccc1[N+](=O)[O-])c1cccc(Cl)c1
InChIInChI=1S/C14H9Cl2NO4/c15-10-4-1-3-9(7-10)13(18)8-21-14-11(16)5-2-6-12(14)17(19)20/h1-7H,8H2
InChIKeyTTYNOTTYMJJHJO-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 ≤ 500326.13
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-chloro-6-nitrophenoxy)propan-2-one
CID 103764387
1-chloro-2-(chloromethoxy)-3-nitrobenzene
CID 107715606
2-(2-bromo-6-nitrophenoxy)-1-(3-fluorophenyl)ethanone
CID 81496683
2-(2-chloro-6-nitrophenoxy)-1-(5-ethylthiophen-2-yl)ethanone
CID 103764386
1-(2-chloro-6-nitrophenoxy)-3-methylpentan-2-one
CID 103864101
2-(2-chloro-6-nitrophenoxy)ethanimidamide
CID 107717032
2-(3-chloro-2-fluorophenoxy)-1-(3-chlorophenyl)ethanone
CID 116689480
[2-(3-nitrophenyl)-2-oxoethyl] 3-chlorobenzoate
CID 2899159
1-(3-chlorophenyl)-2-(2-nitrophenyl)sulfinylethanone
CID 64640115
1-(3-bromophenyl)-2-(2-nitrophenoxy)ethanone
CID 7503868
2-(2-chloro-6-fluorophenoxy)-1-(4-nitrophenyl)ethanone
CID 83052615
2-(2-amino-6-bromophenoxy)-1-(3-chlorophenyl)ethanone
CID 59379213

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-nitrophenoxy)-1-(3-chlorophenyl)ethanone?
The IUPAC name of 2-(2-chloro-6-nitrophenoxy)-1-(3-chlorophenyl)ethanone (CID 103764433) is 2-(2-chloro-6-nitrophenoxy)-1-(3-chlorophenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-nitrophenoxy)-1-(3-chlorophenyl)ethanone?
The canonical SMILES for 2-(2-chloro-6-nitrophenoxy)-1-(3-chlorophenyl)ethanone is O=C(COc1c(Cl)cccc1[N+](=O)[O-])c1cccc(Cl)c1.
What is the InChIKey of 2-(2-chloro-6-nitrophenoxy)-1-(3-chlorophenyl)ethanone?
The InChIKey is TTYNOTTYMJJHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO4/c15-10-4-1-3-9(7-10)13(18)8-21-14-11(16)5-2-6-12(14)17(19)20/h1-7H,8H2.
What are the key properties of 2-(2-chloro-6-nitrophenoxy)-1-(3-chlorophenyl)ethanone?
2-(2-chloro-6-nitrophenoxy)-1-(3-chlorophenyl)ethanone has a molecular weight of 326.13 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 2-(2-chloro-6-nitrophenoxy)-1-(3-chlorophenyl)ethanone is sourced from PubChem (CID 103764433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).