3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one

C20H23NO2 — CID 2924548

IUPAC3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1cccc(C(CC(=O)N2CCCC2)c2ccccc2)c1O
InChIInChI=1S/C20H23NO2/c1-15-8-7-11-17(20(15)23)18(16-9-3-2-4-10-16)14-19(22)21-12-5-6-13-21/h2-4,7-11,18,23H,5-6,12-14H2,1H3
InChIKeyMIXLWHOCFNVHPH-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.85
Rot. Bonds4

About 3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one

3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 2924548) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID2924548
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1cccc(C(CC(=O)N2CCCC2)c2ccccc2)c1O
InChIInChI=1S/C20H23NO2/c1-15-8-7-11-17(20(15)23)18(16-9-3-2-4-10-16)14-19(22)21-12-5-6-13-21/h2-4,7-11,18,23H,5-6,12-14H2,1H3
InChIKeyMIXLWHOCFNVHPH-UHFFFAOYSA-N
XLogP3.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one (CID 2924548) is 3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one is Cc1cccc(C(CC(=O)N2CCCC2)c2ccccc2)c1O.
What is the InChIKey of 3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is MIXLWHOCFNVHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-15-8-7-11-17(20(15)23)18(16-9-3-2-4-10-16)14-19(22)21-12-5-6-13-21/h2-4,7-11,18,23H,5-6,12-14H2,1H3.
What are the key properties of 3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 309.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 2924548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).