1-[3-(2-chlorophenoxy)pyrrolidin-1-yl]hex-5-en-2-ol

C16H22ClNO2 — CID 166232983

IUPAC1-[3-(2-chlorophenoxy)pyrrolidin-1-yl]hex-5-en-2-ol
SMILESC=CCCC(O)CN1CCC(Oc2ccccc2Cl)C1
InChIInChI=1S/C16H22ClNO2/c1-2-3-6-13(19)11-18-10-9-14(12-18)20-16-8-5-4-7-15(16)17/h2,4-5,7-8,13-14,19H,1,3,6,9-12H2
InChIKeyWLTOZHHFUQSYJY-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.12
Rot. Bonds7

About 1-[3-(2-chlorophenoxy)pyrrolidin-1-yl]hex-5-en-2-ol

1-[3-(2-chlorophenoxy)pyrrolidin-1-yl]hex-5-en-2-ol (PubChem CID 166232983) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-[3-(2-chlorophenoxy)pyrrolidin-1-yl]hex-5-en-2-ol.

Molecular Properties

Compound Name1-[3-(2-chlorophenoxy)pyrrolidin-1-yl]hex-5-en-2-ol
PubChem CID166232983
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name1-[3-(2-chlorophenoxy)pyrrolidin-1-yl]hex-5-en-2-ol
SMILESC=CCCC(O)CN1CCC(Oc2ccccc2Cl)C1
InChIInChI=1S/C16H22ClNO2/c1-2-3-6-13(19)11-18-10-9-14(12-18)20-16-8-5-4-7-15(16)17/h2,4-5,7-8,13-14,19H,1,3,6,9-12H2
InChIKeyWLTOZHHFUQSYJY-UHFFFAOYSA-N
XLogP3.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[3-(2-chlorophenoxy)pyrrolidin-1-yl]hex-5-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenoxy)pyrrolidin-1-yl]hex-5-en-2-ol?
The IUPAC name of 1-[3-(2-chlorophenoxy)pyrrolidin-1-yl]hex-5-en-2-ol (CID 166232983) is 1-[3-(2-chlorophenoxy)pyrrolidin-1-yl]hex-5-en-2-ol.
What is the SMILES notation for 1-[3-(2-chlorophenoxy)pyrrolidin-1-yl]hex-5-en-2-ol?
The canonical SMILES for 1-[3-(2-chlorophenoxy)pyrrolidin-1-yl]hex-5-en-2-ol is C=CCCC(O)CN1CCC(Oc2ccccc2Cl)C1.
What is the InChIKey of 1-[3-(2-chlorophenoxy)pyrrolidin-1-yl]hex-5-en-2-ol?
The InChIKey is WLTOZHHFUQSYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-2-3-6-13(19)11-18-10-9-14(12-18)20-16-8-5-4-7-15(16)17/h2,4-5,7-8,13-14,19H,1,3,6,9-12H2.
What are the key properties of 1-[3-(2-chlorophenoxy)pyrrolidin-1-yl]hex-5-en-2-ol?
1-[3-(2-chlorophenoxy)pyrrolidin-1-yl]hex-5-en-2-ol has a molecular weight of 295.81 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenoxy)pyrrolidin-1-yl]hex-5-en-2-ol is sourced from PubChem (CID 166232983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).