4-(2-chlorophenoxy)-1-ethylpyrrolidin-3-ol

C12H16ClNO2 — CID 13320195

IUPAC4-(2-chlorophenoxy)-1-ethylpyrrolidin-3-ol
SMILESCCN1CC(O)C(Oc2ccccc2Cl)C1
InChIInChI=1S/C12H16ClNO2/c1-2-14-7-10(15)12(8-14)16-11-6-4-3-5-9(11)13/h3-6,10,12,15H,2,7-8H2,1H3
InChIKeyJIPSFMGFOPJSJR-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.78
Rot. Bonds3

About 4-(2-chlorophenoxy)-1-ethylpyrrolidin-3-ol

4-(2-chlorophenoxy)-1-ethylpyrrolidin-3-ol (PubChem CID 13320195) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-1-ethylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-1-ethylpyrrolidin-3-ol
PubChem CID13320195
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name4-(2-chlorophenoxy)-1-ethylpyrrolidin-3-ol
SMILESCCN1CC(O)C(Oc2ccccc2Cl)C1
InChIInChI=1S/C12H16ClNO2/c1-2-14-7-10(15)12(8-14)16-11-6-4-3-5-9(11)13/h3-6,10,12,15H,2,7-8H2,1H3
InChIKeyJIPSFMGFOPJSJR-UHFFFAOYSA-N
XLogP1.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-1-ethylpyrrolidin-3-ol?
The IUPAC name of 4-(2-chlorophenoxy)-1-ethylpyrrolidin-3-ol (CID 13320195) is 4-(2-chlorophenoxy)-1-ethylpyrrolidin-3-ol.
What is the SMILES notation for 4-(2-chlorophenoxy)-1-ethylpyrrolidin-3-ol?
The canonical SMILES for 4-(2-chlorophenoxy)-1-ethylpyrrolidin-3-ol is CCN1CC(O)C(Oc2ccccc2Cl)C1.
What is the InChIKey of 4-(2-chlorophenoxy)-1-ethylpyrrolidin-3-ol?
The InChIKey is JIPSFMGFOPJSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-2-14-7-10(15)12(8-14)16-11-6-4-3-5-9(11)13/h3-6,10,12,15H,2,7-8H2,1H3.
What are the key properties of 4-(2-chlorophenoxy)-1-ethylpyrrolidin-3-ol?
4-(2-chlorophenoxy)-1-ethylpyrrolidin-3-ol has a molecular weight of 241.72 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-1-ethylpyrrolidin-3-ol is sourced from PubChem (CID 13320195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).