1-(2,5-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-one

C16H21Cl2NO2 — CID 79057317

IUPAC1-(2,5-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-one
SMILESCCC(C)(C(=O)Cc1cc(Cl)ccc1Cl)N1CCOCC1
InChIInChI=1S/C16H21Cl2NO2/c1-3-16(2,19-6-8-21-9-7-19)15(20)11-12-10-13(17)4-5-14(12)18/h4-5,10H,3,6-9,11H2,1-2H3
InChIKeyUVFOTWYJEOCUST-UHFFFAOYSA-N
MW330.25 g/mol
LogP3.61
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-one

1-(2,5-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-one (PubChem CID 79057317) has the molecular formula C16H21Cl2NO2 and a molecular weight of 330.25 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-one.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-one
PubChem CID79057317
Molecular FormulaC16H21Cl2NO2
Molecular Weight330.25 g/mol
Exact Mass329.09
IUPAC Name1-(2,5-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-one
SMILESCCC(C)(C(=O)Cc1cc(Cl)ccc1Cl)N1CCOCC1
InChIInChI=1S/C16H21Cl2NO2/c1-3-16(2,19-6-8-21-9-7-19)15(20)11-12-10-13(17)4-5-14(12)18/h4-5,10H,3,6-9,11H2,1-2H3
InChIKeyUVFOTWYJEOCUST-UHFFFAOYSA-N
XLogP3.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-one
CID 79052318
1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one
CID 103039428
1-(2,5-dichlorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
CID 116599238
1-(3-chloro-4-methylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one
CID 107559877
2-methyl-2-morpholin-4-ylbutanoic acid
CID 43803225
2,5-dimethyl-5-morpholin-4-ylheptan-4-one
CID 79065685
1-ethylsulfonyl-5-methyl-5-morpholin-4-ylheptan-4-one
CID 79065692
3-methyl-3-morpholin-4-yldecan-4-one
CID 79065458
4-methyl-4-morpholin-4-yl-1-thiophen-2-ylhexan-3-one
CID 79065617
1-(5-bromo-2-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one
CID 79060051
1-(5-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one
CID 79045725
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one
CID 106761832

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-one?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-one (CID 79057317) is 1-(2,5-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-one.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-one?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-one is CCC(C)(C(=O)Cc1cc(Cl)ccc1Cl)N1CCOCC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-one?
The InChIKey is UVFOTWYJEOCUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO2/c1-3-16(2,19-6-8-21-9-7-19)15(20)11-12-10-13(17)4-5-14(12)18/h4-5,10H,3,6-9,11H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-one?
1-(2,5-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-one has a molecular weight of 330.25 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-one is sourced from PubChem (CID 79057317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).