2-ethoxyethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate

C18H19Cl2NO5 — CID 2817950

IUPAC2-ethoxyethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
SMILESCCOCCOC(=O)C(C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H19Cl2NO5/c1-3-23-8-9-24-18(22)12(2)25-14-4-6-15(7-5-14)26-17-16(20)10-13(19)11-21-17/h4-7,10-12H,3,8-9H2,1-2H3
InChIKeyPRWWGGNUCSSALR-UHFFFAOYSA-N
MW400.26 g/mol
LogP4.53
Rot. Bonds9

About 2-ethoxyethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate

2-ethoxyethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate (PubChem CID 2817950) has the molecular formula C18H19Cl2NO5 and a molecular weight of 400.26 g/mol. Its IUPAC name is 2-ethoxyethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate.

Molecular Properties

Compound Name2-ethoxyethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
PubChem CID2817950
Molecular FormulaC18H19Cl2NO5
Molecular Weight400.26 g/mol
Exact Mass399.06
IUPAC Name2-ethoxyethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
SMILESCCOCCOC(=O)C(C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H19Cl2NO5/c1-3-23-8-9-24-18(22)12(2)25-14-4-6-15(7-5-14)26-17-16(20)10-13(19)11-21-17/h4-7,10-12H,3,8-9H2,1-2H3
InChIKeyPRWWGGNUCSSALR-UHFFFAOYSA-N
XLogP4.53
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.26
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
The IUPAC name of 2-ethoxyethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate (CID 2817950) is 2-ethoxyethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate.
What is the SMILES notation for 2-ethoxyethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
The canonical SMILES for 2-ethoxyethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate is CCOCCOC(=O)C(C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-ethoxyethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
The InChIKey is PRWWGGNUCSSALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO5/c1-3-23-8-9-24-18(22)12(2)25-14-4-6-15(7-5-14)26-17-16(20)10-13(19)11-21-17/h4-7,10-12H,3,8-9H2,1-2H3.
What are the key properties of 2-ethoxyethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
2-ethoxyethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate has a molecular weight of 400.26 g/mol, XLogP of 4.53, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate is sourced from PubChem (CID 2817950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).