3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one

C20H23NO2 — CID 4999569

IUPAC3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(O)c(C(CC(=O)N2CCCC2)c2ccccc2)c1
InChIInChI=1S/C20H23NO2/c1-15-9-10-19(22)18(13-15)17(16-7-3-2-4-8-16)14-20(23)21-11-5-6-12-21/h2-4,7-10,13,17,22H,5-6,11-12,14H2,1H3
InChIKeyOFWXPUJUKXZUFW-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.85
Rot. Bonds4

About 3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one

3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 4999569) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID4999569
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(O)c(C(CC(=O)N2CCCC2)c2ccccc2)c1
InChIInChI=1S/C20H23NO2/c1-15-9-10-19(22)18(13-15)17(16-7-3-2-4-8-16)14-20(23)21-11-5-6-12-21/h2-4,7-10,13,17,22H,5-6,11-12,14H2,1H3
InChIKeyOFWXPUJUKXZUFW-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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Related Compounds

(3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 40595933
4-[(3R)-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanoyl]piperazine-1-carbaldehyde
CID 2012457
(3R)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 1314550
(3S)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 1314551
(3S)-3-(2-hydroxy-4-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 740584
3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 650871
(3S)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 937099
(3R)-3-(2-hydroxyphenyl)-1-[4-[(3R)-3-(2-hydroxyphenyl)-3-phenylpropanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 98044350
(3R)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one
CID 934587
(3R)-1-(azocan-1-yl)-3-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
CID 26323826
(3S)-1-(azocan-1-yl)-3-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
CID 26323827
1-(azocan-1-yl)-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propan-1-one
CID 45181483

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one (CID 4999569) is 3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one is Cc1ccc(O)c(C(CC(=O)N2CCCC2)c2ccccc2)c1.
What is the InChIKey of 3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is OFWXPUJUKXZUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-15-9-10-19(22)18(13-15)17(16-7-3-2-4-8-16)14-20(23)21-11-5-6-12-21/h2-4,7-10,13,17,22H,5-6,11-12,14H2,1H3.
What are the key properties of 3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
3-(2-hydroxy-5-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-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 4999569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).