2-(2-hydroxyphenyl)-1-[3-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone

C15H21NO3 — CID 166236384

IUPAC2-(2-hydroxyphenyl)-1-[3-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1O)N1CCC(CCCO)C1
InChIInChI=1S/C15H21NO3/c17-9-3-4-12-7-8-16(11-12)15(19)10-13-5-1-2-6-14(13)18/h1-2,5-6,12,17-18H,3-4,7-11H2
InChIKeyYBBZDDASPHGEBY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.56
Rot. Bonds5

About 2-(2-hydroxyphenyl)-1-[3-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone

2-(2-hydroxyphenyl)-1-[3-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone (PubChem CID 166236384) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-1-[3-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-1-[3-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
PubChem CID166236384
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(2-hydroxyphenyl)-1-[3-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1O)N1CCC(CCCO)C1
InChIInChI=1S/C15H21NO3/c17-9-3-4-12-7-8-16(11-12)15(19)10-13-5-1-2-6-14(13)18/h1-2,5-6,12,17-18H,3-4,7-11H2
InChIKeyYBBZDDASPHGEBY-UHFFFAOYSA-N
XLogP1.56
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746322
1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 80740906
2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid
CID 80741468
2-(2-hydroxyphenyl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 80740881
2-(2-chlorophenyl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62372874
1-(4-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78992664
2-(2,6-dichlorophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746374
3-(2-aminophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 114799225
1-[3-(2-bromoethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 114801701
2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone
CID 141126673
1-[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 95554785
2-(2-hydroxyphenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81427817

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-1-[3-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-hydroxyphenyl)-1-[3-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone (CID 166236384) is 2-(2-hydroxyphenyl)-1-[3-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-hydroxyphenyl)-1-[3-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-hydroxyphenyl)-1-[3-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone is O=C(Cc1ccccc1O)N1CCC(CCCO)C1.
What is the InChIKey of 2-(2-hydroxyphenyl)-1-[3-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone?
The InChIKey is YBBZDDASPHGEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-9-3-4-12-7-8-16(11-12)15(19)10-13-5-1-2-6-14(13)18/h1-2,5-6,12,17-18H,3-4,7-11H2.
What are the key properties of 2-(2-hydroxyphenyl)-1-[3-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone?
2-(2-hydroxyphenyl)-1-[3-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone has a molecular weight of 263.34 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-1-[3-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 166236384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).