2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one

C13H17NO3 — CID 43143333

IUPAC2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(Oc1ccc(O)cc1)C(=O)N1CCCC1
InChIInChI=1S/C13H17NO3/c1-10(13(16)14-8-2-3-9-14)17-12-6-4-11(15)5-7-12/h4-7,10,15H,2-3,8-9H2,1H3
InChIKeyIUTVCWFAVJPTNJ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.78
Rot. Bonds3

About 2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one

2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 43143333) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID43143333
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(Oc1ccc(O)cc1)C(=O)N1CCCC1
InChIInChI=1S/C13H17NO3/c1-10(13(16)14-8-2-3-9-14)17-12-6-4-11(15)5-7-12/h4-7,10,15H,2-3,8-9H2,1H3
InChIKeyIUTVCWFAVJPTNJ-UHFFFAOYSA-N
XLogP1.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenoxy)-1-[4-[2-(4-hydroxyphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 108545473
(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
1-[4-[2-(4-hydroxyphenoxy)propanoyl]-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 108545543
(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 95358331
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534677
2-(4-hydroxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 108568120
3-[4-[2-(4-hydroxyphenoxy)propanoyl]-1,4-diazepan-1-yl]-3-oxopropanenitrile
CID 108543306
methyl 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoate
CID 60627945
(2R)-2-[4-(4-bromophenyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 8587224
1-(azepan-1-yl)-2-(4-methylsulfanylphenoxy)propan-1-one
CID 86909547
2-(4-tert-butylphenoxy)-1-[4-[2-(4-tert-butylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 17046898
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108544168

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one (CID 43143333) is 2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one is CC(Oc1ccc(O)cc1)C(=O)N1CCCC1.
What is the InChIKey of 2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is IUTVCWFAVJPTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10(13(16)14-8-2-3-9-14)17-12-6-4-11(15)5-7-12/h4-7,10,15H,2-3,8-9H2,1H3.
What are the key properties of 2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 235.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 43143333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).