[(2R)-2-ethylhexyl] 2-(2,4-dichlorophenoxy)acetate

C16H22Cl2O3 — CID 86308559

IUPAC[(2R)-2-ethylhexyl] 2-(2,4-dichlorophenoxy)acetate
SMILESCCCC[C@@H](CC)COC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H22Cl2O3/c1-3-5-6-12(4-2)10-21-16(19)11-20-15-8-7-13(17)9-14(15)18/h7-9,12H,3-6,10-11H2,1-2H3/t12-/m1/s1
InChIKeyQZSFJRIWRPJUOH-GFCCVEGCSA-N
MW333.26 g/mol
LogP5.13
Rot. Bonds9

About [(2R)-2-ethylhexyl] 2-(2,4-dichlorophenoxy)acetate

[(2R)-2-ethylhexyl] 2-(2,4-dichlorophenoxy)acetate (PubChem CID 86308559) has the molecular formula C16H22Cl2O3 and a molecular weight of 333.26 g/mol. Its IUPAC name is [(2R)-2-ethylhexyl] 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name[(2R)-2-ethylhexyl] 2-(2,4-dichlorophenoxy)acetate
PubChem CID86308559
Molecular FormulaC16H22Cl2O3
Molecular Weight333.26 g/mol
Exact Mass332.09
IUPAC Name[(2R)-2-ethylhexyl] 2-(2,4-dichlorophenoxy)acetate
SMILESCCCC[C@@H](CC)COC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H22Cl2O3/c1-3-5-6-12(4-2)10-21-16(19)11-20-15-8-7-13(17)9-14(15)18/h7-9,12H,3-6,10-11H2,1-2H3/t12-/m1/s1
InChIKeyQZSFJRIWRPJUOH-GFCCVEGCSA-N
XLogP5.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.26
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
5-O-(2,5-dichlorophenyl) 1-O-(2-ethylhexyl) pentanedioate
CID 91706197
N-(1-aminohexan-2-yl)-2-(2,4-dichlorophenoxy)acetamide;hydrochloride
CID 119664799
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2621932
2-methylprop-2-enyl 2-(2,4-dichlorophenoxy)acetate
CID 170555198
1-[5-chloro-2-(2-ethylhexoxy)phenyl]ethanamine
CID 63499413
2-(ethyldisulfanyl)ethyl 2-(2,4-dichlorophenoxy)acetate
CID 57200637
azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 175420675
2-chloro-4-(chloromethyl)-1-(2-ethylhexoxy)benzene
CID 55224763

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-ethylhexyl] 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of [(2R)-2-ethylhexyl] 2-(2,4-dichlorophenoxy)acetate (CID 86308559) is [(2R)-2-ethylhexyl] 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for [(2R)-2-ethylhexyl] 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for [(2R)-2-ethylhexyl] 2-(2,4-dichlorophenoxy)acetate is CCCC[C@@H](CC)COC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of [(2R)-2-ethylhexyl] 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is QZSFJRIWRPJUOH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22Cl2O3/c1-3-5-6-12(4-2)10-21-16(19)11-20-15-8-7-13(17)9-14(15)18/h7-9,12H,3-6,10-11H2,1-2H3/t12-/m1/s1.
What are the key properties of [(2R)-2-ethylhexyl] 2-(2,4-dichlorophenoxy)acetate?
[(2R)-2-ethylhexyl] 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 333.26 g/mol, XLogP of 5.13, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-ethylhexyl] 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 86308559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).