2-(2,4-dichlorophenoxy)ethyl 2-chloro-5-nitrobenzoate

C15H10Cl3NO5 — CID 7891622

IUPAC2-(2,4-dichlorophenoxy)ethyl 2-chloro-5-nitrobenzoate
SMILESO=C(OCCOc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H10Cl3NO5/c16-9-1-4-14(13(18)7-9)23-5-6-24-15(20)11-8-10(19(21)22)2-3-12(11)17/h1-4,7-8H,5-6H2
InChIKeyUMAJUGDLULFILY-UHFFFAOYSA-N
MW390.61 g/mol
LogP4.79
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)ethyl 2-chloro-5-nitrobenzoate

2-(2,4-dichlorophenoxy)ethyl 2-chloro-5-nitrobenzoate (PubChem CID 7891622) has the molecular formula C15H10Cl3NO5 and a molecular weight of 390.61 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)ethyl 2-chloro-5-nitrobenzoate.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)ethyl 2-chloro-5-nitrobenzoate
PubChem CID7891622
Molecular FormulaC15H10Cl3NO5
Molecular Weight390.61 g/mol
Exact Mass388.96
IUPAC Name2-(2,4-dichlorophenoxy)ethyl 2-chloro-5-nitrobenzoate
SMILESO=C(OCCOc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H10Cl3NO5/c16-9-1-4-14(13(18)7-9)23-5-6-24-15(20)11-8-10(19(21)22)2-3-12(11)17/h1-4,7-8H,5-6H2
InChIKeyUMAJUGDLULFILY-UHFFFAOYSA-N
XLogP4.79
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.61
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-bromo-4-chlorophenoxy)ethyl 2-amino-5-nitrobenzoate
CID 18267275
2-(2,4-dichlorophenoxy)ethyl 3-methyl-2-nitrobenzoate
CID 7233780
2-(2,4-dichlorophenoxy)ethyl 2-chloro-5-methylsulfonylbenzoate
CID 2502520
2-(4-chlorophenoxy)ethyl 2-chloro-4-nitrobenzoate
CID 2616434
N-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-5-nitrobenzamide
CID 60599919
2-(3-ethylphenoxy)ethyl 2-chloro-5-nitrobenzoate
CID 55318710
2-(2,4-dichlorophenoxy)ethyl 4-(dimethylamino)-3-nitrobenzoate
CID 7261704
4-(2-chloro-4-nitrophenoxy)butan-2-one
CID 60666840
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
(4-nitrophenyl)methyl 2-(2,4-dichlorophenoxy)acetate
CID 1310079
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 2631006
hexyl 2-hexoxy-5-nitrobenzoate
CID 139925523

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)ethyl 2-chloro-5-nitrobenzoate?
The IUPAC name of 2-(2,4-dichlorophenoxy)ethyl 2-chloro-5-nitrobenzoate (CID 7891622) is 2-(2,4-dichlorophenoxy)ethyl 2-chloro-5-nitrobenzoate.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)ethyl 2-chloro-5-nitrobenzoate?
The canonical SMILES for 2-(2,4-dichlorophenoxy)ethyl 2-chloro-5-nitrobenzoate is O=C(OCCOc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)ethyl 2-chloro-5-nitrobenzoate?
The InChIKey is UMAJUGDLULFILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3NO5/c16-9-1-4-14(13(18)7-9)23-5-6-24-15(20)11-8-10(19(21)22)2-3-12(11)17/h1-4,7-8H,5-6H2.
What are the key properties of 2-(2,4-dichlorophenoxy)ethyl 2-chloro-5-nitrobenzoate?
2-(2,4-dichlorophenoxy)ethyl 2-chloro-5-nitrobenzoate has a molecular weight of 390.61 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)ethyl 2-chloro-5-nitrobenzoate is sourced from PubChem (CID 7891622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).