2-(4-chlorophenoxy)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol

C15H22ClNO2 — CID 117237490

IUPAC2-(4-chlorophenoxy)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
SMILESCC(C)N1CCC(C(O)COc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H22ClNO2/c1-11(2)17-8-7-12(9-17)15(18)10-19-14-5-3-13(16)4-6-14/h3-6,11-12,15,18H,7-10H2,1-2H3
InChIKeyISCPNNLKRJGXJO-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.81
Rot. Bonds5

About 2-(4-chlorophenoxy)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol

2-(4-chlorophenoxy)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol (PubChem CID 117237490) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
PubChem CID117237490
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-(4-chlorophenoxy)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
SMILESCC(C)N1CCC(C(O)COc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H22ClNO2/c1-11(2)17-8-7-12(9-17)15(18)10-19-14-5-3-13(16)4-6-14/h3-6,11-12,15,18H,7-10H2,1-2H3
InChIKeyISCPNNLKRJGXJO-UHFFFAOYSA-N
XLogP2.81
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol
CID 117237487
2-(4-chlorophenoxy)-1-cycloheptylethanol
CID 105122069
4-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol
CID 117237493
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
4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
CID 117238923
2-(4-chlorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 117237457
3-(4-chlorophenoxy)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 51096129
2-(4-bromophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238916
2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine
CID 117238932
1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol
CID 105100781

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol?
The IUPAC name of 2-(4-chlorophenoxy)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol (CID 117237490) is 2-(4-chlorophenoxy)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol is CC(C)N1CCC(C(O)COc2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol?
The InChIKey is ISCPNNLKRJGXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11(2)17-8-7-12(9-17)15(18)10-19-14-5-3-13(16)4-6-14/h3-6,11-12,15,18H,7-10H2,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol?
2-(4-chlorophenoxy)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol has a molecular weight of 283.80 g/mol, XLogP of 2.81, 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-propan-2-ylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 117237490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).