(2R)-1-(2,4-dichlorophenoxy)-3-pyrrolidin-1-ylpropan-2-ol

C13H17Cl2NO2 — CID 1080081

IUPAC(2R)-1-(2,4-dichlorophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
SMILESO[C@@H](COc1ccc(Cl)cc1Cl)CN1CCCC1
InChIInChI=1S/C13H17Cl2NO2/c14-10-3-4-13(12(15)7-10)18-9-11(17)8-16-5-1-2-6-16/h3-4,7,11,17H,1-2,5-6,8-9H2/t11-/m1/s1
InChIKeyNHGWYVBPZSKTKV-LLVKDONJSA-N
MW290.19 g/mol
LogP2.83
Rot. Bonds5

About (2R)-1-(2,4-dichlorophenoxy)-3-pyrrolidin-1-ylpropan-2-ol

(2R)-1-(2,4-dichlorophenoxy)-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 1080081) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is (2R)-1-(2,4-dichlorophenoxy)-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2,4-dichlorophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID1080081
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name(2R)-1-(2,4-dichlorophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
SMILESO[C@@H](COc1ccc(Cl)cc1Cl)CN1CCCC1
InChIInChI=1S/C13H17Cl2NO2/c14-10-3-4-13(12(15)7-10)18-9-11(17)8-16-5-1-2-6-16/h3-4,7,11,17H,1-2,5-6,8-9H2/t11-/m1/s1
InChIKeyNHGWYVBPZSKTKV-LLVKDONJSA-N
XLogP2.83
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Clorgyline
CID 4380
Clorgyline hydrochloride
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2,4-D-tris(2-hydroxypropyl)ammonium
CID 62724
1-(Piperidin-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol
CID 2914648
5-[(2,4-Dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
CID 2725803
1-[3-(2,4-Dichloro-phenoxy)-propyl]-1,2,3,6-tetrahydro-pyridine
CID 15521042
1-[(2,4-Dichlorophenoxy)acetyl]pyrrolidine
CID 544487
2,4-D triethylammonium salt
CID 62454
1-(2,4-Dichlorophenoxy)-3-[(1,1,3,3-tetramethylbutyl)amino]-2-propanol hydrochloride
CID 2918568
1-[4-(2-Chlorophenoxy)butyl]pyrrolidine
CID 2057794
1-[2-(2,4-Dichlorophenoxy)ethyl]piperidine oxalate
CID 2847926
1-(2-Chlorophenoxy)-3-[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 2885681

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,4-dichlorophenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-(2,4-dichlorophenoxy)-3-pyrrolidin-1-ylpropan-2-ol (CID 1080081) is (2R)-1-(2,4-dichlorophenoxy)-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-(2,4-dichlorophenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-(2,4-dichlorophenoxy)-3-pyrrolidin-1-ylpropan-2-ol is O[C@@H](COc1ccc(Cl)cc1Cl)CN1CCCC1.
What is the InChIKey of (2R)-1-(2,4-dichlorophenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is NHGWYVBPZSKTKV-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c14-10-3-4-13(12(15)7-10)18-9-11(17)8-16-5-1-2-6-16/h3-4,7,11,17H,1-2,5-6,8-9H2/t11-/m1/s1.
What are the key properties of (2R)-1-(2,4-dichlorophenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
(2R)-1-(2,4-dichlorophenoxy)-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 290.19 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,4-dichlorophenoxy)-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 1080081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).