2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol

C14H20ClNO2 — CID 117237487

IUPAC2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol
SMILESCCN1CCC(C(O)COc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNO2/c1-2-16-8-7-11(9-16)14(17)10-18-13-5-3-12(15)4-6-13/h3-6,11,14,17H,2,7-10H2,1H3
InChIKeyVBCLKRVEFLJXRV-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.42
Rot. Bonds5

About 2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol

2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol (PubChem CID 117237487) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol
PubChem CID117237487
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol
SMILESCCN1CCC(C(O)COc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNO2/c1-2-16-8-7-11(9-16)14(17)10-18-13-5-3-12(15)4-6-13/h3-6,11,14,17H,2,7-10H2,1H3
InChIKeyVBCLKRVEFLJXRV-UHFFFAOYSA-N
XLogP2.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
CID 117237490
2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine
CID 117238932
2-(4-chlorophenoxy)-1-cycloheptylethanol
CID 105122069
4-[2-hydroxy-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol
CID 117237471
2-(4-chlorophenoxy)-1-pyrrolidin-3-ylethanol
CID 117237460
2-(4-chlorophenoxy)-1-(thiolan-3-yl)ethanol
CID 117237439
2-(4-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanol;2,2,2-trifluoroacetic acid
CID 25057052
2-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenoxy)propan-1-amine
CID 117237996
1-(1-benzylpiperidin-4-yl)-2-phenoxyethanol
CID 59280139
2-(1-ethylpyrrolidin-3-yl)-3-phenoxypropanoic acid
CID 117238296
3-(3-chlorophenoxy)-2-(1-ethylpyrrolidin-3-yl)propan-1-amine
CID 117237900
4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
CID 117238923

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol?
The IUPAC name of 2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol (CID 117237487) is 2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol is CCN1CCC(C(O)COc2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol?
The InChIKey is VBCLKRVEFLJXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-2-16-8-7-11(9-16)14(17)10-18-13-5-3-12(15)4-6-13/h3-6,11,14,17H,2,7-10H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol?
2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol has a molecular weight of 269.77 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 117237487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).