2-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-yl]ethanol

C15H23NO3 — CID 115648330

IUPAC2-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-yl]ethanol
SMILESCOc1ccc(OCCN2CCC(CCO)C2)cc1
InChIInChI=1S/C15H23NO3/c1-18-14-2-4-15(5-3-14)19-11-9-16-8-6-13(12-16)7-10-17/h2-5,13,17H,6-12H2,1H3
InChIKeyKBCDWOACNNEDIU-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.78
Rot. Bonds7

About 2-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-yl]ethanol

2-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-yl]ethanol (PubChem CID 115648330) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-yl]ethanol
PubChem CID115648330
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-yl]ethanol
SMILESCOc1ccc(OCCN2CCC(CCO)C2)cc1
InChIInChI=1S/C15H23NO3/c1-18-14-2-4-15(5-3-14)19-11-9-16-8-6-13(12-16)7-10-17/h2-5,13,17H,6-12H2,1H3
InChIKeyKBCDWOACNNEDIU-UHFFFAOYSA-N
XLogP1.78
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzonitrile
CID 115647831
3-(bromomethyl)-1-[2-(4-methoxyphenoxy)ethyl]pyrrolidine
CID 80691311
[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]methanol
CID 60768510
N'-hydroxy-4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzenecarboximidamide
CID 114797845
2-[1-[3-(4-chlorophenoxy)propyl]pyrrolidin-3-yl]ethanol
CID 115648137
4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]ethoxy]benzoic acid
CID 107227861
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 10562587
2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid
CID 62689445
2-[(3S)-1-[2-(3-methylphenoxy)ethyl]piperidin-3-yl]ethanol
CID 94409239
[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 62063950
2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol
CID 139776336
1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride
CID 23294491

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-yl]ethanol (CID 115648330) is 2-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-yl]ethanol is COc1ccc(OCCN2CCC(CCO)C2)cc1.
What is the InChIKey of 2-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-yl]ethanol?
The InChIKey is KBCDWOACNNEDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-18-14-2-4-15(5-3-14)19-11-9-16-8-6-13(12-16)7-10-17/h2-5,13,17H,6-12H2,1H3.
What are the key properties of 2-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-yl]ethanol?
2-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-yl]ethanol has a molecular weight of 265.35 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115648330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).