2-(4-hydroxy-3-methylphenyl)-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanone

C19H21NO2 — CID 124761216

IUPAC2-(4-hydroxy-3-methylphenyl)-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanone
SMILESCc1cc(CC(=O)N2CC[C@@H](c3ccccc3)C2)ccc1O
InChIInChI=1S/C19H21NO2/c1-14-11-15(7-8-18(14)21)12-19(22)20-10-9-17(13-20)16-5-3-2-4-6-16/h2-8,11,17,21H,9-10,12-13H2,1H3/t17-/m1/s1
InChIKeyXPZMOEWKPHIKDL-QGZVFWFLSA-N
MW295.38 g/mol
LogP3.26
Rot. Bonds3

About 2-(4-hydroxy-3-methylphenyl)-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanone

2-(4-hydroxy-3-methylphenyl)-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanone (PubChem CID 124761216) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methylphenyl)-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-hydroxy-3-methylphenyl)-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanone
PubChem CID124761216
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-(4-hydroxy-3-methylphenyl)-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanone
SMILESCc1cc(CC(=O)N2CC[C@@H](c3ccccc3)C2)ccc1O
InChIInChI=1S/C19H21NO2/c1-14-11-15(7-8-18(14)21)12-19(22)20-10-9-17(13-20)16-5-3-2-4-6-16/h2-8,11,17,21H,9-10,12-13H2,1H3/t17-/m1/s1
InChIKeyXPZMOEWKPHIKDL-QGZVFWFLSA-N
XLogP3.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxy-3-methylphenyl)-1-[(3S)-3-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone
CID 124875886
2-(4-hydroxy-3-methylphenyl)-1-[(3R)-3-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone
CID 124875884
2-(4-hydroxy-3-methoxyphenyl)-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone
CID 124725307
1-[(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-2-(4-hydroxy-3-methylphenyl)ethanone
CID 124761342
1-[(3R)-3-(4-hydroxyphenyl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 124760656
2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone
CID 141126673
1-ethyl-4-methyl-2-[2-oxo-2-[(3R)-3-phenylpyrrolidin-1-yl]ethyl]pyrrole-3-carboxylic acid
CID 95078818
4-methyl-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
CID 60605253
ethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate
CID 51895095
2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110766864
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
3,3,3-trifluoro-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 126796221

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methylphenyl)-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-hydroxy-3-methylphenyl)-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanone (CID 124761216) is 2-(4-hydroxy-3-methylphenyl)-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-hydroxy-3-methylphenyl)-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-hydroxy-3-methylphenyl)-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanone is Cc1cc(CC(=O)N2CC[C@@H](c3ccccc3)C2)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methylphenyl)-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanone?
The InChIKey is XPZMOEWKPHIKDL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14-11-15(7-8-18(14)21)12-19(22)20-10-9-17(13-20)16-5-3-2-4-6-16/h2-8,11,17,21H,9-10,12-13H2,1H3/t17-/m1/s1.
What are the key properties of 2-(4-hydroxy-3-methylphenyl)-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanone?
2-(4-hydroxy-3-methylphenyl)-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanone has a molecular weight of 295.38 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methylphenyl)-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124761216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).