2-(2,4-dichlorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one

C13H15Cl2NO3 — CID 66262423

IUPAC2-(2,4-dichlorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C13H15Cl2NO3/c1-8(13(18)16-5-4-10(17)7-16)19-12-3-2-9(14)6-11(12)15/h2-3,6,8,10,17H,4-5,7H2,1H3/t8?,10-/m1/s1
InChIKeyUYGGPVLTXLHCCV-LHIURRSHSA-N
MW304.17 g/mol
LogP2.35
Rot. Bonds3

About 2-(2,4-dichlorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one

2-(2,4-dichlorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one (PubChem CID 66262423) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
PubChem CID66262423
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name2-(2,4-dichlorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C13H15Cl2NO3/c1-8(13(18)16-5-4-10(17)7-16)19-12-3-2-9(14)6-11(12)15/h2-3,6,8,10,17H,4-5,7H2,1H3/t8?,10-/m1/s1
InChIKeyUYGGPVLTXLHCCV-LHIURRSHSA-N
XLogP2.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one (CID 66262423) is 2-(2,4-dichlorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one is CC(Oc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H](O)C1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one?
The InChIKey is UYGGPVLTXLHCCV-LHIURRSHSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-8(13(18)16-5-4-10(17)7-16)19-12-3-2-9(14)6-11(12)15/h2-3,6,8,10,17H,4-5,7H2,1H3/t8?,10-/m1/s1.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one?
2-(2,4-dichlorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one has a molecular weight of 304.17 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 66262423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).