2-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]morpholin-3-one

C14H18ClNO3 — CID 152655352

IUPAC2-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]morpholin-3-one
SMILESCC[C@@H](CO)N1CCOC(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C14H18ClNO3/c1-2-12(9-17)16-7-8-19-13(14(16)18)10-3-5-11(15)6-4-10/h3-6,12-13,17H,2,7-9H2,1H3/t12-,13?/m0/s1
InChIKeyZIKLRMWURHRKLO-UEWDXFNNSA-N
MW283.75 g/mol
LogP2.01
Rot. Bonds4

About 2-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]morpholin-3-one

2-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]morpholin-3-one (PubChem CID 152655352) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]morpholin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]morpholin-3-one
PubChem CID152655352
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]morpholin-3-one
SMILESCC[C@@H](CO)N1CCOC(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C14H18ClNO3/c1-2-12(9-17)16-7-8-19-13(14(16)18)10-3-5-11(15)6-4-10/h3-6,12-13,17H,2,7-9H2,1H3/t12-,13?/m0/s1
InChIKeyZIKLRMWURHRKLO-UEWDXFNNSA-N
XLogP2.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2s,5r,6s)-2-Benzyl-5,6-Bis(4-Chlorophenyl)-4-Methylmorpholin-3-One
CID 71305071
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 3645747
(2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide
CID 24955187
[1-(2-Chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate
CID 3230484
(2R)-N-[(1R)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide
CID 44409548
(2R,6S,E)-6-(4-chlorobenzyl)-4-methyl-2-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
CID 71451242
(R)-2-((2S,5R,6S)-2-Benzyl-5,6-bis(4-chlorophenyl)-3-oxomorpholino)pentanoic acid
CID 86282738
4-Butyl-2-phenylmorpholin-3-one
CID 3056627
3-Morpholinone, 4-isopropyl-2-phenyl-
CID 3056628
Acetic acid (4-chloro-phenyl)-cyclohexylcarbamoyl-methyl ester
CID 3230482
US11407721, Example 4
CID 86280982
US11407721, Example 13
CID 86281385

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]morpholin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]morpholin-3-one (CID 152655352) is 2-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]morpholin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]morpholin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]morpholin-3-one is CC[C@@H](CO)N1CCOC(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]morpholin-3-one?
The InChIKey is ZIKLRMWURHRKLO-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-2-12(9-17)16-7-8-19-13(14(16)18)10-3-5-11(15)6-4-10/h3-6,12-13,17H,2,7-9H2,1H3/t12-,13?/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]morpholin-3-one?
2-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]morpholin-3-one has a molecular weight of 283.75 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]morpholin-3-one is sourced from PubChem (CID 152655352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).