2-(2,6-dichlorophenoxy)ethyl 2-(2-nitrophenoxy)acetate

C16H13Cl2NO6 — CID 7789050

IUPAC2-(2,6-dichlorophenoxy)ethyl 2-(2-nitrophenoxy)acetate
SMILESO=C(COc1ccccc1[N+](=O)[O-])OCCOc1c(Cl)cccc1Cl
InChIInChI=1S/C16H13Cl2NO6/c17-11-4-3-5-12(18)16(11)24-9-8-23-15(20)10-25-14-7-2-1-6-13(14)19(21)22/h1-7H,8-10H2
InChIKeyNKYHGTTYNQCDTQ-UHFFFAOYSA-N
MW386.19 g/mol
LogP3.90
Rot. Bonds8

About 2-(2,6-dichlorophenoxy)ethyl 2-(2-nitrophenoxy)acetate

2-(2,6-dichlorophenoxy)ethyl 2-(2-nitrophenoxy)acetate (PubChem CID 7789050) has the molecular formula C16H13Cl2NO6 and a molecular weight of 386.19 g/mol. Its IUPAC name is 2-(2,6-dichlorophenoxy)ethyl 2-(2-nitrophenoxy)acetate.

Molecular Properties

Compound Name2-(2,6-dichlorophenoxy)ethyl 2-(2-nitrophenoxy)acetate
PubChem CID7789050
Molecular FormulaC16H13Cl2NO6
Molecular Weight386.19 g/mol
Exact Mass385.01
IUPAC Name2-(2,6-dichlorophenoxy)ethyl 2-(2-nitrophenoxy)acetate
SMILESO=C(COc1ccccc1[N+](=O)[O-])OCCOc1c(Cl)cccc1Cl
InChIInChI=1S/C16H13Cl2NO6/c17-11-4-3-5-12(18)16(11)24-9-8-23-15(20)10-25-14-7-2-1-6-13(14)19(21)22/h1-7H,8-10H2
InChIKeyNKYHGTTYNQCDTQ-UHFFFAOYSA-N
XLogP3.90
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.19
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[2-[[2-[2-(2-nitrophenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 16540047
N-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500531
triphenylstannyl 2-(2-nitrophenoxy)acetate
CID 16706573
[(1S)-1-(2-chlorophenyl)ethyl] 2-(2-nitrophenoxy)acetate
CID 7889861
ethyl 2-(2-chloro-3-nitrophenoxy)acetate
CID 91997015
1-(2-chloro-6-nitrophenoxy)propan-2-one
CID 103764387
1-benzothiophen-3-ylmethyl 2-(2-nitrophenoxy)acetate
CID 55886139
2-(2-chloro-6-nitrophenoxy)ethanimidamide
CID 107717032
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-nitrophenoxy)acetate
CID 2626600
2-(2-nitrophenoxy)ethyl prop-2-enoate
CID 102248252
(2-fluorophenyl) 2-(2-nitrophenoxy)acetate
CID 7900804
2-amino-4-(2-chloro-6-nitrophenoxy)-2-methylbutanoic acid
CID 107718459

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenoxy)ethyl 2-(2-nitrophenoxy)acetate?
The IUPAC name of 2-(2,6-dichlorophenoxy)ethyl 2-(2-nitrophenoxy)acetate (CID 7789050) is 2-(2,6-dichlorophenoxy)ethyl 2-(2-nitrophenoxy)acetate.
What is the SMILES notation for 2-(2,6-dichlorophenoxy)ethyl 2-(2-nitrophenoxy)acetate?
The canonical SMILES for 2-(2,6-dichlorophenoxy)ethyl 2-(2-nitrophenoxy)acetate is O=C(COc1ccccc1[N+](=O)[O-])OCCOc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenoxy)ethyl 2-(2-nitrophenoxy)acetate?
The InChIKey is NKYHGTTYNQCDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO6/c17-11-4-3-5-12(18)16(11)24-9-8-23-15(20)10-25-14-7-2-1-6-13(14)19(21)22/h1-7H,8-10H2.
What are the key properties of 2-(2,6-dichlorophenoxy)ethyl 2-(2-nitrophenoxy)acetate?
2-(2,6-dichlorophenoxy)ethyl 2-(2-nitrophenoxy)acetate has a molecular weight of 386.19 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenoxy)ethyl 2-(2-nitrophenoxy)acetate is sourced from PubChem (CID 7789050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).