3-(5-chloro-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one

C19H20ClNO2 — CID 2963071

IUPAC3-(5-chloro-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1cc(Cl)ccc1O)N1CCCC1
InChIInChI=1S/C19H20ClNO2/c20-15-8-9-18(22)17(12-15)16(14-6-2-1-3-7-14)13-19(23)21-10-4-5-11-21/h1-3,6-9,12,16,22H,4-5,10-11,13H2
InChIKeyMIBPKOFRCFCING-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.19
Rot. Bonds4

About 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one

3-(5-chloro-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 2963071) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID2963071
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name3-(5-chloro-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1cc(Cl)ccc1O)N1CCCC1
InChIInChI=1S/C19H20ClNO2/c20-15-8-9-18(22)17(12-15)16(14-6-2-1-3-7-14)13-19(23)21-10-4-5-11-21/h1-3,6-9,12,16,22H,4-5,10-11,13H2
InChIKeyMIBPKOFRCFCING-UHFFFAOYSA-N
XLogP4.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-Hydroxyphenyl)-3-phenyl-1-(piperidin-1-yl)propan-1-one
CID 3149891
3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide
CID 3155496
3-(2-Hydroxyphenyl)-3-phenyl-1-(pyrrolidin-1-yl)propan-1-one
CID 3845025
3-(2-Hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 4999569
[3-(3,5-Dichlorophenyl)-4-hydroxyphenyl]-pyrrolidin-1-ylmethanone
CID 44534357
5-Methyl-2-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)phenol
CID 4151023
4-Chloro-2-[3-(4-morpholinyl)-3-oxo-1-phenylpropyl]phenol
CID 2952392
3-(5-chloro-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 2951426
2-Methyl-6-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)phenol
CID 2924548
3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N-(1-phenylethyl)propanamide
CID 2951983
N-benzyl-3-(5-chloro-2-hydroxyphenyl)-N-methyl-3-phenylpropanamide
CID 2960667
4-Chloro-2-[3-oxo-1-phenyl-3-(1-piperidinyl)propyl]phenol
CID 4646696

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one (CID 2963071) is 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one is O=C(CC(c1ccccc1)c1cc(Cl)ccc1O)N1CCCC1.
What is the InChIKey of 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is MIBPKOFRCFCING-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c20-15-8-9-18(22)17(12-15)16(14-6-2-1-3-7-14)13-19(23)21-10-4-5-11-21/h1-3,6-9,12,16,22H,4-5,10-11,13H2.
What are the key properties of 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
3-(5-chloro-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 329.83 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 2963071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).