3-pyridin-4-ylpropyl 2-(2,4-dichlorophenoxy)acetate

C16H15Cl2NO3 — CID 169177885

IUPAC3-pyridin-4-ylpropyl 2-(2,4-dichlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1Cl)OCCCc1ccncc1
InChIInChI=1S/C16H15Cl2NO3/c17-13-3-4-15(14(18)10-13)22-11-16(20)21-9-1-2-12-5-7-19-8-6-12/h3-8,10H,1-2,9,11H2
InChIKeyGAKUSXQDZHOPTH-UHFFFAOYSA-N
MW340.21 g/mol
LogP3.94
Rot. Bonds7

About 3-pyridin-4-ylpropyl 2-(2,4-dichlorophenoxy)acetate

3-pyridin-4-ylpropyl 2-(2,4-dichlorophenoxy)acetate (PubChem CID 169177885) has the molecular formula C16H15Cl2NO3 and a molecular weight of 340.21 g/mol. Its IUPAC name is 3-pyridin-4-ylpropyl 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name3-pyridin-4-ylpropyl 2-(2,4-dichlorophenoxy)acetate
PubChem CID169177885
Molecular FormulaC16H15Cl2NO3
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name3-pyridin-4-ylpropyl 2-(2,4-dichlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1Cl)OCCCc1ccncc1
InChIInChI=1S/C16H15Cl2NO3/c17-13-3-4-15(14(18)10-13)22-11-16(20)21-9-1-2-12-5-7-19-8-6-12/h3-8,10H,1-2,9,11H2
InChIKeyGAKUSXQDZHOPTH-UHFFFAOYSA-N
XLogP3.94
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-(2,4-dichlorophenoxy)acetate
CID 7206
hexadecyl 2-(2,4-dichlorophenoxy)acetate
CID 154124758
dodecyl 2-(2,4-dichlorophenoxy)acetate
CID 6454472
3-chloro-4-(3-pyridin-4-ylpropoxy)aniline
CID 29006391
5-chloro-2-(3-pyridin-4-ylpropoxy)aniline
CID 29006395
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
but-3-enyl 2-(2,4-dichlorophenoxy)acetate
CID 57097632
2-methylprop-2-enyl 2-(2,4-dichlorophenoxy)acetate
CID 170555198
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993156
3-chloro-4-(3-pyridin-4-ylpropoxy)benzenecarbothioamide
CID 63087479
2-(ethyldisulfanyl)ethyl 2-(2,4-dichlorophenoxy)acetate
CID 57200637
[(4S)-8-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octyl] 2-(2,4-dichlorophenoxy)acetate
CID 154585591

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-ylpropyl 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of 3-pyridin-4-ylpropyl 2-(2,4-dichlorophenoxy)acetate (CID 169177885) is 3-pyridin-4-ylpropyl 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for 3-pyridin-4-ylpropyl 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for 3-pyridin-4-ylpropyl 2-(2,4-dichlorophenoxy)acetate is O=C(COc1ccc(Cl)cc1Cl)OCCCc1ccncc1.
What is the InChIKey of 3-pyridin-4-ylpropyl 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is GAKUSXQDZHOPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3/c17-13-3-4-15(14(18)10-13)22-11-16(20)21-9-1-2-12-5-7-19-8-6-12/h3-8,10H,1-2,9,11H2.
What are the key properties of 3-pyridin-4-ylpropyl 2-(2,4-dichlorophenoxy)acetate?
3-pyridin-4-ylpropyl 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 340.21 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-ylpropyl 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 169177885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).