2,3-dihydroxypropyl 2-(2,4-dichlorophenoxy)propanoate

C12H14Cl2O5 — CID 90904922

IUPAC2,3-dihydroxypropyl 2-(2,4-dichlorophenoxy)propanoate
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)OCC(O)CO
InChIInChI=1S/C12H14Cl2O5/c1-7(12(17)18-6-9(16)5-15)19-11-3-2-8(13)4-10(11)14/h2-4,7,9,15-16H,5-6H2,1H3
InChIKeyGTIISEQIZIBXIE-UHFFFAOYSA-N
MW309.15 g/mol
LogP1.66
Rot. Bonds6

About 2,3-dihydroxypropyl 2-(2,4-dichlorophenoxy)propanoate

2,3-dihydroxypropyl 2-(2,4-dichlorophenoxy)propanoate (PubChem CID 90904922) has the molecular formula C12H14Cl2O5 and a molecular weight of 309.15 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 2-(2,4-dichlorophenoxy)propanoate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 2-(2,4-dichlorophenoxy)propanoate
PubChem CID90904922
Molecular FormulaC12H14Cl2O5
Molecular Weight309.15 g/mol
Exact Mass308.02
IUPAC Name2,3-dihydroxypropyl 2-(2,4-dichlorophenoxy)propanoate
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)OCC(O)CO
InChIInChI=1S/C12H14Cl2O5/c1-7(12(17)18-6-9(16)5-15)19-11-3-2-8(13)4-10(11)14/h2-4,7,9,15-16H,5-6H2,1H3
InChIKeyGTIISEQIZIBXIE-UHFFFAOYSA-N
XLogP1.66
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-2-oxoethyl) (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862593
[2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862401
amino (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 170104927
azanium 2-(2,4-dichlorophenoxy)propanoate
CID 21219600
2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
phenacyl (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 1336816
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
2-butoxyethyl (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 76970477
[2-(4-chloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate
CID 2927512
[2-(4-chloroanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 1322745
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate
CID 23764450

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 2-(2,4-dichlorophenoxy)propanoate?
The IUPAC name of 2,3-dihydroxypropyl 2-(2,4-dichlorophenoxy)propanoate (CID 90904922) is 2,3-dihydroxypropyl 2-(2,4-dichlorophenoxy)propanoate.
What is the SMILES notation for 2,3-dihydroxypropyl 2-(2,4-dichlorophenoxy)propanoate?
The canonical SMILES for 2,3-dihydroxypropyl 2-(2,4-dichlorophenoxy)propanoate is CC(Oc1ccc(Cl)cc1Cl)C(=O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl 2-(2,4-dichlorophenoxy)propanoate?
The InChIKey is GTIISEQIZIBXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O5/c1-7(12(17)18-6-9(16)5-15)19-11-3-2-8(13)4-10(11)14/h2-4,7,9,15-16H,5-6H2,1H3.
What are the key properties of 2,3-dihydroxypropyl 2-(2,4-dichlorophenoxy)propanoate?
2,3-dihydroxypropyl 2-(2,4-dichlorophenoxy)propanoate has a molecular weight of 309.15 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 2-(2,4-dichlorophenoxy)propanoate is sourced from PubChem (CID 90904922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).