6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-hydroxypentan-2-yl)morpholin-3-one

C21H23Cl2NO3 — CID 123534629

IUPAC6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-hydroxypentan-2-yl)morpholin-3-one
SMILESCCCC(CO)N1C(=O)COC(c2cccc(Cl)c2)C1c1ccc(Cl)cc1
InChIInChI=1S/C21H23Cl2NO3/c1-2-4-18(12-25)24-19(26)13-27-21(15-5-3-6-17(23)11-15)20(24)14-7-9-16(22)10-8-14/h3,5-11,18,20-21,25H,2,4,12-13H2,1H3
InChIKeyAPSDGKDTEPIERV-UHFFFAOYSA-N
MW408.33 g/mol
LogP4.80
Rot. Bonds6

About 6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-hydroxypentan-2-yl)morpholin-3-one

6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-hydroxypentan-2-yl)morpholin-3-one (PubChem CID 123534629) has the molecular formula C21H23Cl2NO3 and a molecular weight of 408.33 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-hydroxypentan-2-yl)morpholin-3-one.

Molecular Properties

Compound Name6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-hydroxypentan-2-yl)morpholin-3-one
PubChem CID123534629
Molecular FormulaC21H23Cl2NO3
Molecular Weight408.33 g/mol
Exact Mass407.11
IUPAC Name6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-hydroxypentan-2-yl)morpholin-3-one
SMILESCCCC(CO)N1C(=O)COC(c2cccc(Cl)c2)C1c1ccc(Cl)cc1
InChIInChI=1S/C21H23Cl2NO3/c1-2-4-18(12-25)24-19(26)13-27-21(15-5-3-6-17(23)11-15)20(24)14-7-9-16(22)10-8-14/h3,5-11,18,20-21,25H,2,4,12-13H2,1H3
InChIKeyAPSDGKDTEPIERV-UHFFFAOYSA-N
XLogP4.80
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2R)-1-hydroxypentan-2-yl]morpholin-3-one
CID 90347762
(5R,6S)-5,6-bis(4-chlorophenyl)-4-[(2S)-1-hydroxypentan-2-yl]morpholin-3-one
CID 118622899
6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-hydroxy-3-methylbutan-2-yl)morpholin-3-one
CID 123183230
(6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2R)-1-hydroxy-3-methylbutan-2-yl]morpholin-3-one
CID 90347752
(5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-hydroxy-3-methylbutan-2-yl)morpholin-3-one
CID 89490757
ethyl (2S)-2-[(2S,3R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxomorpholin-4-yl]pentanoate
CID 154317202
(5S,6R)-4-[(2R)-1-aminopentan-2-yl]-5,6-bis(4-chlorophenyl)morpholin-3-one
CID 90358282
4-[(2S)-1-aminopentan-2-yl]-5,6-bis(4-chlorophenyl)morpholin-3-one
CID 90357016
6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(2-sulfanylpentan-3-yl)morpholin-3-one
CID 123959428
ethyl (2S)-2-[(2R,3R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxomorpholin-4-yl]butanoate
CID 90347823
ethyl (2S)-2-[(2R,3S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-cyclopropylacetate
CID 90371973
ethyl (2R)-2-[(2R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-cyclopropylacetate;ethyl (2S)-2-[(2R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-cyclopropylacetate
CID 162193875

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-hydroxypentan-2-yl)morpholin-3-one?
The IUPAC name of 6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-hydroxypentan-2-yl)morpholin-3-one (CID 123534629) is 6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-hydroxypentan-2-yl)morpholin-3-one.
What is the SMILES notation for 6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-hydroxypentan-2-yl)morpholin-3-one?
The canonical SMILES for 6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-hydroxypentan-2-yl)morpholin-3-one is CCCC(CO)N1C(=O)COC(c2cccc(Cl)c2)C1c1ccc(Cl)cc1.
What is the InChIKey of 6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-hydroxypentan-2-yl)morpholin-3-one?
The InChIKey is APSDGKDTEPIERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2NO3/c1-2-4-18(12-25)24-19(26)13-27-21(15-5-3-6-17(23)11-15)20(24)14-7-9-16(22)10-8-14/h3,5-11,18,20-21,25H,2,4,12-13H2,1H3.
What are the key properties of 6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-hydroxypentan-2-yl)morpholin-3-one?
6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-hydroxypentan-2-yl)morpholin-3-one has a molecular weight of 408.33 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-hydroxypentan-2-yl)morpholin-3-one is sourced from PubChem (CID 123534629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).