ethyl 2-(2,5-dichlorophenoxy)pentanoate

C13H16Cl2O3 — CID 83038151

IUPACethyl 2-(2,5-dichlorophenoxy)pentanoate
SMILESCCCC(Oc1cc(Cl)ccc1Cl)C(=O)OCC
InChIInChI=1S/C13H16Cl2O3/c1-3-5-11(13(16)17-4-2)18-12-8-9(14)6-7-10(12)15/h6-8,11H,3-5H2,1-2H3
InChIKeyDZFQGBJIIORVLW-UHFFFAOYSA-N
MW291.17 g/mol
LogP4.10
Rot. Bonds6

About ethyl 2-(2,5-dichlorophenoxy)pentanoate

ethyl 2-(2,5-dichlorophenoxy)pentanoate (PubChem CID 83038151) has the molecular formula C13H16Cl2O3 and a molecular weight of 291.17 g/mol. Its IUPAC name is ethyl 2-(2,5-dichlorophenoxy)pentanoate.

Molecular Properties

Compound Nameethyl 2-(2,5-dichlorophenoxy)pentanoate
PubChem CID83038151
Molecular FormulaC13H16Cl2O3
Molecular Weight291.17 g/mol
Exact Mass290.05
IUPAC Nameethyl 2-(2,5-dichlorophenoxy)pentanoate
SMILESCCCC(Oc1cc(Cl)ccc1Cl)C(=O)OCC
InChIInChI=1S/C13H16Cl2O3/c1-3-5-11(13(16)17-4-2)18-12-8-9(14)6-7-10(12)15/h6-8,11H,3-5H2,1-2H3
InChIKeyDZFQGBJIIORVLW-UHFFFAOYSA-N
XLogP4.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2,4,5-trichlorophenoxy)pentanoate
CID 83038818
ethyl 2-(5-chloro-2-cyanophenoxy)pentanoate
CID 83037721
methyl 2-(2,5-dichlorophenoxy)hexanoate
CID 113373433
ethyl 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]pentanoate
CID 83041897
2-(2,5-dichlorophenoxy)butanamide
CID 62901251
ethyl (2R)-2-(2-chloro-5-methylphenoxy)butanoate
CID 40613985
ethyl 2-(4-amino-2-chlorophenoxy)pentanoate
CID 83034701
ethyl (2R)-2-(2-amino-4-chlorophenoxy)butanoate
CID 124503178
(2S)-3-amino-2-(2,5-dichlorophenoxy)propanoic acid;hydrochloride
CID 68946272
ethyl 2-(4-fluoro-3-methylphenoxy)pentanoate
CID 83037537
ethyl 2-(5-chloro-2-nitrophenoxy)butanoate
CID 64662459
ethyl 2-(2,5-dichlorophenyl)sulfanylpentanoate
CID 83038841

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dichlorophenoxy)pentanoate?
The IUPAC name of ethyl 2-(2,5-dichlorophenoxy)pentanoate (CID 83038151) is ethyl 2-(2,5-dichlorophenoxy)pentanoate.
What is the SMILES notation for ethyl 2-(2,5-dichlorophenoxy)pentanoate?
The canonical SMILES for ethyl 2-(2,5-dichlorophenoxy)pentanoate is CCCC(Oc1cc(Cl)ccc1Cl)C(=O)OCC.
What is the InChIKey of ethyl 2-(2,5-dichlorophenoxy)pentanoate?
The InChIKey is DZFQGBJIIORVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O3/c1-3-5-11(13(16)17-4-2)18-12-8-9(14)6-7-10(12)15/h6-8,11H,3-5H2,1-2H3.
What are the key properties of ethyl 2-(2,5-dichlorophenoxy)pentanoate?
ethyl 2-(2,5-dichlorophenoxy)pentanoate has a molecular weight of 291.17 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-dichlorophenoxy)pentanoate is sourced from PubChem (CID 83038151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).