1-[(3R)-3-(4-hydroxyphenyl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone

C19H21NO2 — CID 124760656

IUPAC1-[(3R)-3-(4-hydroxyphenyl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CC[C@H](c3ccc(O)cc3)C2)c1
InChIInChI=1S/C19H21NO2/c1-14-3-2-4-15(11-14)12-19(22)20-10-9-17(13-20)16-5-7-18(21)8-6-16/h2-8,11,17,21H,9-10,12-13H2,1H3/t17-/m0/s1
InChIKeyOJJOPRWNWBEEGC-KRWDZBQOSA-N
MW295.38 g/mol
LogP3.26
Rot. Bonds3

About 1-[(3R)-3-(4-hydroxyphenyl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone

1-[(3R)-3-(4-hydroxyphenyl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone (PubChem CID 124760656) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[(3R)-3-(4-hydroxyphenyl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(4-hydroxyphenyl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
PubChem CID124760656
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-[(3R)-3-(4-hydroxyphenyl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CC[C@H](c3ccc(O)cc3)C2)c1
InChIInChI=1S/C19H21NO2/c1-14-3-2-4-15(11-14)12-19(22)20-10-9-17(13-20)16-5-7-18(21)8-6-16/h2-8,11,17,21H,9-10,12-13H2,1H3/t17-/m0/s1
InChIKeyOJJOPRWNWBEEGC-KRWDZBQOSA-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
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 66291636
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 79880159
2-(4-hydroxy-3-methylphenyl)-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanone
CID 124761216
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
2-(3-methylphenyl)-1-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanone
CID 167903948
1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 55220165
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 63263153
2-(3-methylphenyl)-1-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]ethanone
CID 124725456
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 80677729

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(4-hydroxyphenyl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-[(3R)-3-(4-hydroxyphenyl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone (CID 124760656) is 1-[(3R)-3-(4-hydroxyphenyl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-[(3R)-3-(4-hydroxyphenyl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-[(3R)-3-(4-hydroxyphenyl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)N2CC[C@H](c3ccc(O)cc3)C2)c1.
What is the InChIKey of 1-[(3R)-3-(4-hydroxyphenyl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone?
The InChIKey is OJJOPRWNWBEEGC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14-3-2-4-15(11-14)12-19(22)20-10-9-17(13-20)16-5-7-18(21)8-6-16/h2-8,11,17,21H,9-10,12-13H2,1H3/t17-/m0/s1.
What are the key properties of 1-[(3R)-3-(4-hydroxyphenyl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone?
1-[(3R)-3-(4-hydroxyphenyl)pyrrolidin-1-yl]-2-(3-methylphenyl)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 1-[(3R)-3-(4-hydroxyphenyl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 124760656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).