2-(3-chloro-4-hydroxyphenyl)-1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]ethanone

C16H21ClN2O4 — CID 91764658

IUPAC2-(3-chloro-4-hydroxyphenyl)-1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccc(O)c(Cl)c1)N1C[C@H](O)[C@@H](N2CCOCC2)C1
InChIInChI=1S/C16H21ClN2O4/c17-12-7-11(1-2-14(12)20)8-16(22)19-9-13(15(21)10-19)18-3-5-23-6-4-18/h1-2,7,13,15,20-21H,3-6,8-10H2/t13-,15-/m0/s1
InChIKeyOUVKJPRPNMJRCM-ZFWWWQNUSA-N
MW340.81 g/mol
LogP0.49
Rot. Bonds3

About 2-(3-chloro-4-hydroxyphenyl)-1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]ethanone

2-(3-chloro-4-hydroxyphenyl)-1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]ethanone (PubChem CID 91764658) has the molecular formula C16H21ClN2O4 and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxyphenyl)-1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxyphenyl)-1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]ethanone
PubChem CID91764658
Molecular FormulaC16H21ClN2O4
Molecular Weight340.81 g/mol
Exact Mass340.12
IUPAC Name2-(3-chloro-4-hydroxyphenyl)-1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccc(O)c(Cl)c1)N1C[C@H](O)[C@@H](N2CCOCC2)C1
InChIInChI=1S/C16H21ClN2O4/c17-12-7-11(1-2-14(12)20)8-16(22)19-9-13(15(21)10-19)18-3-5-23-6-4-18/h1-2,7,13,15,20-21H,3-6,8-10H2/t13-,15-/m0/s1
InChIKeyOUVKJPRPNMJRCM-ZFWWWQNUSA-N
XLogP0.49
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-chloro-4-hydroxyphenyl)-1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]ethanone 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

1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 91770233
1-[(3R,4S)-1-[2-(3-chloro-4-hydroxyphenyl)acetyl]-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134713858
1-(3-azabicyclo[3.3.1]nonan-3-yl)-2-(3-chloro-4-hydroxyphenyl)ethanone
CID 171153310
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 91797332
2-(4-aminophenyl)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 119899571
4-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-4-oxobutanoic acid
CID 122569456
(3-chloro-4-hydroxyphenyl)-[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methanone
CID 91837144
3-(2-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one
CID 175659290
1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 110108314
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 56866050
[4-(3-hydroxy-3-methylbutyl)phenyl]-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 56909674

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]ethanone (CID 91764658) is 2-(3-chloro-4-hydroxyphenyl)-1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chloro-4-hydroxyphenyl)-1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3-chloro-4-hydroxyphenyl)-1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]ethanone is O=C(Cc1ccc(O)c(Cl)c1)N1C[C@H](O)[C@@H](N2CCOCC2)C1.
What is the InChIKey of 2-(3-chloro-4-hydroxyphenyl)-1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]ethanone?
The InChIKey is OUVKJPRPNMJRCM-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H21ClN2O4/c17-12-7-11(1-2-14(12)20)8-16(22)19-9-13(15(21)10-19)18-3-5-23-6-4-18/h1-2,7,13,15,20-21H,3-6,8-10H2/t13-,15-/m0/s1.
What are the key properties of 2-(3-chloro-4-hydroxyphenyl)-1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]ethanone?
2-(3-chloro-4-hydroxyphenyl)-1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]ethanone has a molecular weight of 340.81 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxyphenyl)-1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 91764658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).