2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone

C12H15NO3 — CID 79029330

IUPAC2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccc(O)cc1)N1CC[C@H](O)C1
InChIInChI=1S/C12H15NO3/c14-10-3-1-9(2-4-10)7-12(16)13-6-5-11(15)8-13/h1-4,11,14-15H,5-8H2/t11-/m0/s1
InChIKeyMYOUIMZORGGVDI-NSHDSACASA-N
MW221.26 g/mol
LogP0.53
Rot. Bonds2

About 2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone

2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone (PubChem CID 79029330) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
PubChem CID79029330
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccc(O)cc1)N1CC[C@H](O)C1
InChIInChI=1S/C12H15NO3/c14-10-3-1-9(2-4-10)7-12(16)13-6-5-11(15)8-13/h1-4,11,14-15H,5-8H2/t11-/m0/s1
InChIKeyMYOUIMZORGGVDI-NSHDSACASA-N
XLogP0.53
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43393427
1-(3-hydroxypyrrolidin-1-yl)-2-(4-nitrophenyl)ethanone
CID 62916916
2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110465876
1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone
CID 79868676
1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 28934157
1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 93040634
1-[(3R)-3-aminopiperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 102983742
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 111561769
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 66291636
(4-chlorophenyl)methyl N-[4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]carbamate
CID 171824418
1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 62372342
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(4-nitrophenyl)ethanone
CID 107224880

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone (CID 79029330) is 2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone is O=C(Cc1ccc(O)cc1)N1CC[C@H](O)C1.
What is the InChIKey of 2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone?
The InChIKey is MYOUIMZORGGVDI-NSHDSACASA-N. The full InChI is InChI=1S/C12H15NO3/c14-10-3-1-9(2-4-10)7-12(16)13-6-5-11(15)8-13/h1-4,11,14-15H,5-8H2/t11-/m0/s1.
What are the key properties of 2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone?
2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone has a molecular weight of 221.26 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 79029330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).