2-[1-[3-(4-chlorophenoxy)propyl]pyrrolidin-3-yl]ethanol

C15H22ClNO2 — CID 115648137

IUPAC2-[1-[3-(4-chlorophenoxy)propyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(CCCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H22ClNO2/c16-14-2-4-15(5-3-14)19-11-1-8-17-9-6-13(12-17)7-10-18/h2-5,13,18H,1,6-12H2
InChIKeyRTNVBELOGPJPDT-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.81
Rot. Bonds7

About 2-[1-[3-(4-chlorophenoxy)propyl]pyrrolidin-3-yl]ethanol

2-[1-[3-(4-chlorophenoxy)propyl]pyrrolidin-3-yl]ethanol (PubChem CID 115648137) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-[1-[3-(4-chlorophenoxy)propyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[3-(4-chlorophenoxy)propyl]pyrrolidin-3-yl]ethanol
PubChem CID115648137
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-[1-[3-(4-chlorophenoxy)propyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(CCCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H22ClNO2/c16-14-2-4-15(5-3-14)19-11-1-8-17-9-6-13(12-17)7-10-18/h2-5,13,18H,1,6-12H2
InChIKeyRTNVBELOGPJPDT-UHFFFAOYSA-N
XLogP2.81
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-yl]ethanol
CID 115648330
2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol
CID 139776336
1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine
CID 138636815
1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine
CID 159435771
4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzonitrile
CID 115647831
[1-[3-(3-chlorophenoxy)propyl]pyrrolidin-3-yl]methanol
CID 111442585
N'-hydroxy-4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzenecarboximidamide
CID 114797845
2-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanol
CID 60690500
4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]ethoxy]benzoic acid
CID 107227861
tert-butyl 2-[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]acetate
CID 158514756
[1-(3-naphthalen-2-yloxypropyl)pyrrolidin-3-yl]methanol
CID 111442695
3-ethyl-1-(3-phenoxypropyl)pyrrolidine
CID 126692357

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(4-chlorophenoxy)propyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[3-(4-chlorophenoxy)propyl]pyrrolidin-3-yl]ethanol (CID 115648137) is 2-[1-[3-(4-chlorophenoxy)propyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[3-(4-chlorophenoxy)propyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[3-(4-chlorophenoxy)propyl]pyrrolidin-3-yl]ethanol is OCCC1CCN(CCCOc2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[1-[3-(4-chlorophenoxy)propyl]pyrrolidin-3-yl]ethanol?
The InChIKey is RTNVBELOGPJPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c16-14-2-4-15(5-3-14)19-11-1-8-17-9-6-13(12-17)7-10-18/h2-5,13,18H,1,6-12H2.
What are the key properties of 2-[1-[3-(4-chlorophenoxy)propyl]pyrrolidin-3-yl]ethanol?
2-[1-[3-(4-chlorophenoxy)propyl]pyrrolidin-3-yl]ethanol has a molecular weight of 283.80 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(4-chlorophenoxy)propyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115648137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).