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

C16H15Cl2NO4 — CID 2829855

IUPACethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H15Cl2NO4/c1-3-21-16(20)10(2)22-12-4-6-13(7-5-12)23-15-14(18)8-11(17)9-19-15/h4-10H,3H2,1-2H3
InChIKeyJNYFNQWRGSQZQC-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.51
Rot. Bonds6

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

ethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate (PubChem CID 2829855) has the molecular formula C16H15Cl2NO4 and a molecular weight of 356.21 g/mol. Its IUPAC name is ethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
PubChem CID2829855
Molecular FormulaC16H15Cl2NO4
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Nameethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H15Cl2NO4/c1-3-21-16(20)10(2)22-12-4-6-13(7-5-12)23-15-14(18)8-11(17)9-19-15/h4-10H,3H2,1-2H3
InChIKeyJNYFNQWRGSQZQC-UHFFFAOYSA-N
XLogP4.51
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
The IUPAC name of ethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate (CID 2829855) is ethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate.
What is the SMILES notation for ethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
The canonical SMILES for ethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate is CCOC(=O)C(C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1.
What is the InChIKey of ethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
The InChIKey is JNYFNQWRGSQZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4/c1-3-21-16(20)10(2)22-12-4-6-13(7-5-12)23-15-14(18)8-11(17)9-19-15/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
ethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate has a molecular weight of 356.21 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate is sourced from PubChem (CID 2829855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).