2-butoxyethyl 2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoate

C15H21Cl2NO4 — CID 70624483

IUPAC2-butoxyethyl 2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoate
SMILESCCCCOCCOC(=O)C(C)Oc1nc(C)c(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO4/c1-4-5-6-20-7-8-21-15(19)11(3)22-14-13(17)9-12(16)10(2)18-14/h9,11H,4-8H2,1-3H3
InChIKeySZQUIHHCSGGYMX-UHFFFAOYSA-N
MW350.24 g/mol
LogP3.82
Rot. Bonds9

About 2-butoxyethyl 2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoate

2-butoxyethyl 2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoate (PubChem CID 70624483) has the molecular formula C15H21Cl2NO4 and a molecular weight of 350.24 g/mol. Its IUPAC name is 2-butoxyethyl 2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoate.

Molecular Properties

Compound Name2-butoxyethyl 2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoate
PubChem CID70624483
Molecular FormulaC15H21Cl2NO4
Molecular Weight350.24 g/mol
Exact Mass349.08
IUPAC Name2-butoxyethyl 2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoate
SMILESCCCCOCCOC(=O)C(C)Oc1nc(C)c(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO4/c1-4-5-6-20-7-8-21-15(19)11(3)22-14-13(17)9-12(16)10(2)18-14/h9,11H,4-8H2,1-3H3
InChIKeySZQUIHHCSGGYMX-UHFFFAOYSA-N
XLogP3.82
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-butoxyethyl (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 76970477
octyl (2S)-2-(2,4,5-trichlorophenoxy)propanoate
CID 98474314
ethyl 2-butoxy-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate
CID 6420749
2-ethoxyethyl (2S)-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
CID 7716442
ethyl 2-[5-(2,4-dichlorophenyl)-3,6-dimethylpyrazin-2-yl]oxypropanoate
CID 22248982
2-butoxyethyl 3-chloro-2-methylpropanoate
CID 175064019
butyl (2S)-2-(4-ethylphenoxy)propanoate
CID 71346852
ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate
CID 67661567
2-butoxyethyl (2R)-2-amino-3-methylbutanoate
CID 79009790
2-butoxyethyl (2R)-2-amino-2-phenylacetate
CID 61302671
2-butoxyethyl 3-methyl-2-sulfanylbutanoate
CID 107018535
2-butoxyethyl 2-(methylamino)propanoate
CID 62638365

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethyl 2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoate?
The IUPAC name of 2-butoxyethyl 2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoate (CID 70624483) is 2-butoxyethyl 2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoate.
What is the SMILES notation for 2-butoxyethyl 2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoate?
The canonical SMILES for 2-butoxyethyl 2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoate is CCCCOCCOC(=O)C(C)Oc1nc(C)c(Cl)cc1Cl.
What is the InChIKey of 2-butoxyethyl 2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoate?
The InChIKey is SZQUIHHCSGGYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO4/c1-4-5-6-20-7-8-21-15(19)11(3)22-14-13(17)9-12(16)10(2)18-14/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-butoxyethyl 2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoate?
2-butoxyethyl 2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoate has a molecular weight of 350.24 g/mol, XLogP of 3.82, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethyl 2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoate is sourced from PubChem (CID 70624483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).