2-(4-methoxyphenoxy)-1-pyrrolidin-2-ylethanol

C13H19NO3 — CID 142625617

IUPAC2-(4-methoxyphenoxy)-1-pyrrolidin-2-ylethanol
SMILESCOc1ccc(OCC(O)C2CCCN2)cc1
InChIInChI=1S/C13H19NO3/c1-16-10-4-6-11(7-5-10)17-9-13(15)12-3-2-8-14-12/h4-7,12-15H,2-3,8-9H2,1H3
InChIKeyAWOGMGXDXGCVAD-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.19
Rot. Bonds5

About 2-(4-methoxyphenoxy)-1-pyrrolidin-2-ylethanol

2-(4-methoxyphenoxy)-1-pyrrolidin-2-ylethanol (PubChem CID 142625617) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-1-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-1-pyrrolidin-2-ylethanol
PubChem CID142625617
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(4-methoxyphenoxy)-1-pyrrolidin-2-ylethanol
SMILESCOc1ccc(OCC(O)C2CCCN2)cc1
InChIInChI=1S/C13H19NO3/c1-16-10-4-6-11(7-5-10)17-9-13(15)12-3-2-8-14-12/h4-7,12-15H,2-3,8-9H2,1H3
InChIKeyAWOGMGXDXGCVAD-UHFFFAOYSA-N
XLogP1.19
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenylphenoxy)-1-piperidin-2-ylethanol
CID 14500424
ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol
CID 142507524
2-methoxy-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 164662041
2-(4-methoxyphenoxy)-1-pyrrolidin-3-ylethanol
CID 117237470
2-(3-methoxyphenyl)-1-pyrrolidin-2-ylethanol
CID 82080040
(S)-(3,5-dimethoxyphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 135313109
1-pyrrolidin-2-ylpropan-1-ol;hydrochloride
CID 172641162
4-bromo-6-chloro-2-[2-hydroxy-2-[(2R)-pyrrolidin-2-yl]ethoxy]pyridin-3-ol
CID 175550530
(1R)-2-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 138485490
1-(azetidin-2-yl)-2-methoxyethanol
CID 115007059
2-(5-ethylthiophen-2-yl)-1-pyrrolidin-2-ylethanol
CID 106639830
[2-(4-methoxyphenyl)quinolin-4-yl]-pyrrolidin-2-ylmethanol
CID 78129978

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-1-pyrrolidin-2-ylethanol?
The IUPAC name of 2-(4-methoxyphenoxy)-1-pyrrolidin-2-ylethanol (CID 142625617) is 2-(4-methoxyphenoxy)-1-pyrrolidin-2-ylethanol.
What is the SMILES notation for 2-(4-methoxyphenoxy)-1-pyrrolidin-2-ylethanol?
The canonical SMILES for 2-(4-methoxyphenoxy)-1-pyrrolidin-2-ylethanol is COc1ccc(OCC(O)C2CCCN2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-1-pyrrolidin-2-ylethanol?
The InChIKey is AWOGMGXDXGCVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-16-10-4-6-11(7-5-10)17-9-13(15)12-3-2-8-14-12/h4-7,12-15H,2-3,8-9H2,1H3.
What are the key properties of 2-(4-methoxyphenoxy)-1-pyrrolidin-2-ylethanol?
2-(4-methoxyphenoxy)-1-pyrrolidin-2-ylethanol has a molecular weight of 237.30 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-1-pyrrolidin-2-ylethanol is sourced from PubChem (CID 142625617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).