3-(2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one

C19H21NO2 — CID 3845025

IUPAC3-(2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1O)N1CCCC1
InChIInChI=1S/C19H21NO2/c21-18-11-5-4-10-16(18)17(15-8-2-1-3-9-15)14-19(22)20-12-6-7-13-20/h1-5,8-11,17,21H,6-7,12-14H2
InChIKeyGZWJQVNDMKRYTK-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.54
Rot. Bonds4

About 3-(2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one

3-(2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 3845025) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID3845025
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name3-(2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1O)N1CCCC1
InChIInChI=1S/C19H21NO2/c21-18-11-5-4-10-16(18)17(15-8-2-1-3-9-15)14-19(22)20-12-6-7-13-20/h1-5,8-11,17,21H,6-7,12-14H2
InChIKeyGZWJQVNDMKRYTK-UHFFFAOYSA-N
XLogP3.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-2-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)phenol
CID 2963071
3-(2-Hydroxyphenyl)-3-phenyl-1-(piperidin-1-yl)propan-1-one
CID 3149891
3-(2-Hydroxy-3,4-dimethylphenyl)-3-phenyl-1-(piperidin-1-yl)propan-1-one
CID 4586649
3-(2-hydroxyphenyl)-3-phenyl-N-(1-phenylpropan-2-yl)propanamide
CID 2900449
3-(2-hydroxy-3-methylphenyl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 2939328
1,3-Dihydroisoindol-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone
CID 11955466
N-benzyl-3-(2-hydroxyphenyl)-3-phenylpropanamide
CID 2902277
N-(tert-butyl)-3-(2-hydroxyphenyl)-3-phenylpropanamide
CID 2902872
3-(2-hydroxyphenyl)-N-phenethyl-3-phenylpropanamide
CID 2939182
3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N,N-dipropylpropanamide
CID 2943075
3-(2-hydroxy-5-methylphenyl)-N-isopropyl-3-phenylpropanamide
CID 2952978
3-(2-Hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 4999569

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one (CID 3845025) is 3-(2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one is O=C(CC(c1ccccc1)c1ccccc1O)N1CCCC1.
What is the InChIKey of 3-(2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is GZWJQVNDMKRYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-18-11-5-4-10-16(18)17(15-8-2-1-3-9-15)14-19(22)20-12-6-7-13-20/h1-5,8-11,17,21H,6-7,12-14H2.
What are the key properties of 3-(2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
3-(2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 295.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 3845025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).