3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one

C21H25NO2 — CID 650871

IUPAC3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(C(CC(=O)N2CCCC2)c2ccccc2)c(O)c1C
InChIInChI=1S/C21H25NO2/c1-15-10-11-18(21(24)16(15)2)19(17-8-4-3-5-9-17)14-20(23)22-12-6-7-13-22/h3-5,8-11,19,24H,6-7,12-14H2,1-2H3
InChIKeyHXWPDLNZSWKLJM-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.15
Rot. Bonds4

About 3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one

3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 650871) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID650871
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(C(CC(=O)N2CCCC2)c2ccccc2)c(O)c1C
InChIInChI=1S/C21H25NO2/c1-15-10-11-18(21(24)16(15)2)19(17-8-4-3-5-9-17)14-20(23)22-12-6-7-13-22/h3-5,8-11,19,24H,6-7,12-14H2,1-2H3
InChIKeyHXWPDLNZSWKLJM-UHFFFAOYSA-N
XLogP4.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 937099
(3R)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one
CID 934587
3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperazin-1-ylpropan-1-one
CID 2946962
(3R)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperazin-1-ylpropan-1-one
CID 756632
3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 4999569
(3R)-3-(2-hydroxyphenyl)-1-[4-[(3R)-3-(2-hydroxyphenyl)-3-phenylpropanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 98044350
(3R)-3-(2-fluorophenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 26392913
(3S)-1-(azocan-1-yl)-3-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
CID 26323827
(3R)-1-(azocan-1-yl)-3-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
CID 26323826
(3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one
CID 25279572
(3S)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 1314551
(3R)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 1314550

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one (CID 650871) is 3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one is Cc1ccc(C(CC(=O)N2CCCC2)c2ccccc2)c(O)c1C.
What is the InChIKey of 3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is HXWPDLNZSWKLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-15-10-11-18(21(24)16(15)2)19(17-8-4-3-5-9-17)14-20(23)22-12-6-7-13-22/h3-5,8-11,19,24H,6-7,12-14H2,1-2H3.
What are the key properties of 3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 323.44 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 650871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).