2-(4-chlorophenoxy)-1-pyrrolidin-3-ylethanol

C12H16ClNO2 — CID 117237460

IUPAC2-(4-chlorophenoxy)-1-pyrrolidin-3-ylethanol
SMILESOC(COc1ccc(Cl)cc1)C1CCNC1
InChIInChI=1S/C12H16ClNO2/c13-10-1-3-11(4-2-10)16-8-12(15)9-5-6-14-7-9/h1-4,9,12,14-15H,5-8H2
InChIKeyRVXZDWKJJCAXSD-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.69
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-pyrrolidin-3-ylethanol

2-(4-chlorophenoxy)-1-pyrrolidin-3-ylethanol (PubChem CID 117237460) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-pyrrolidin-3-ylethanol.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-pyrrolidin-3-ylethanol
PubChem CID117237460
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-(4-chlorophenoxy)-1-pyrrolidin-3-ylethanol
SMILESOC(COc1ccc(Cl)cc1)C1CCNC1
InChIInChI=1S/C12H16ClNO2/c13-10-1-3-11(4-2-10)16-8-12(15)9-5-6-14-7-9/h1-4,9,12,14-15H,5-8H2
InChIKeyRVXZDWKJJCAXSD-UHFFFAOYSA-N
XLogP1.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-1-pyrrolidin-3-ylethanol
CID 117237470
3-(4-chlorophenoxy)-2-pyrrolidin-3-ylpropan-1-amine
CID 117237962
2-(4-chlorophenoxy)-1-cycloheptylethanol
CID 105122069
2-pyridin-3-yloxy-1-pyrrolidin-3-ylethanol
CID 117237507
2-(4-chlorophenoxy)-1-(thiolan-3-yl)ethanol
CID 117237439
2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol
CID 117237487
2-(4-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 105116183
2-(4-chlorophenoxy)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
CID 117237490
1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol
CID 105100781
(3S)-3-[(1S)-1-(4-chlorophenoxy)-2-methylpropyl]pyrrolidine;hydrochloride
CID 56602587
3-(4-bromophenoxy)-2-pyrrolidin-3-ylpropan-1-amine
CID 117237963
2-(3-methoxyphenoxy)-1-piperidin-4-ylethanol
CID 117238836

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-pyrrolidin-3-ylethanol?
The IUPAC name of 2-(4-chlorophenoxy)-1-pyrrolidin-3-ylethanol (CID 117237460) is 2-(4-chlorophenoxy)-1-pyrrolidin-3-ylethanol.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-pyrrolidin-3-ylethanol?
The canonical SMILES for 2-(4-chlorophenoxy)-1-pyrrolidin-3-ylethanol is OC(COc1ccc(Cl)cc1)C1CCNC1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-pyrrolidin-3-ylethanol?
The InChIKey is RVXZDWKJJCAXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c13-10-1-3-11(4-2-10)16-8-12(15)9-5-6-14-7-9/h1-4,9,12,14-15H,5-8H2.
What are the key properties of 2-(4-chlorophenoxy)-1-pyrrolidin-3-ylethanol?
2-(4-chlorophenoxy)-1-pyrrolidin-3-ylethanol has a molecular weight of 241.72 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-pyrrolidin-3-ylethanol is sourced from PubChem (CID 117237460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).