2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone

C13H17NO3 — CID 28561501

IUPAC2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc(CO)cc1)N1CCCC1
InChIInChI=1S/C13H17NO3/c15-9-11-3-5-12(6-4-11)17-10-13(16)14-7-1-2-8-14/h3-6,15H,1-2,7-10H2
InChIKeyFOTQSEGWMZEFRW-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.18
Rot. Bonds4

About 2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone

2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 28561501) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
PubChem CID28561501
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc(CO)cc1)N1CCCC1
InChIInChI=1S/C13H17NO3/c15-9-11-3-5-12(6-4-11)17-10-13(16)14-7-1-2-8-14/h3-6,15H,1-2,7-10H2
InChIKeyFOTQSEGWMZEFRW-UHFFFAOYSA-N
XLogP1.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
[4-(2-pyrrolidin-1-ylprop-2-enoxy)phenyl]methanol
CID 145415365
2-[4-(3-aminopropyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 170879092
ethane;2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone;4-(trifluoromethyl)phenol
CID 164906069
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone;2-(trifluoromethoxy)phenol
CID 164905979
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
1-pyrrolidin-1-yl-2-[4-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 71996858
2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 19169351
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
CID 8566237
2-(4-bromophenoxy)-1-[4-[2-(4-bromophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 4961230
2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone
CID 54908646

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone (CID 28561501) is 2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone is O=C(COc1ccc(CO)cc1)N1CCCC1.
What is the InChIKey of 2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is FOTQSEGWMZEFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-9-11-3-5-12(6-4-11)17-10-13(16)14-7-1-2-8-14/h3-6,15H,1-2,7-10H2.
What are the key properties of 2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone?
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 235.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 28561501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).