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

C15H19Cl2NO2 — CID 12842163

IUPAC1-(3,4-dichlorophenyl)-5-morpholin-4-ylpentan-3-one
SMILESO=C(CCc1ccc(Cl)c(Cl)c1)CCN1CCOCC1
InChIInChI=1S/C15H19Cl2NO2/c16-14-4-2-12(11-15(14)17)1-3-13(19)5-6-18-7-9-20-10-8-18/h2,4,11H,1,3,5-10H2
InChIKeyIGQQQGJDXZIOEH-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.22
Rot. Bonds6

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

1-(3,4-dichlorophenyl)-5-morpholin-4-ylpentan-3-one (PubChem CID 12842163) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-5-morpholin-4-ylpentan-3-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-5-morpholin-4-ylpentan-3-one
PubChem CID12842163
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name1-(3,4-dichlorophenyl)-5-morpholin-4-ylpentan-3-one
SMILESO=C(CCc1ccc(Cl)c(Cl)c1)CCN1CCOCC1
InChIInChI=1S/C15H19Cl2NO2/c16-14-4-2-12(11-15(14)17)1-3-13(19)5-6-18-7-9-20-10-8-18/h2,4,11H,1,3,5-10H2
InChIKeyIGQQQGJDXZIOEH-UHFFFAOYSA-N
XLogP3.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-5-morpholin-4-ylpentan-3-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-5-morpholin-4-ylpentan-3-one (CID 12842163) is 1-(3,4-dichlorophenyl)-5-morpholin-4-ylpentan-3-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-5-morpholin-4-ylpentan-3-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-5-morpholin-4-ylpentan-3-one is O=C(CCc1ccc(Cl)c(Cl)c1)CCN1CCOCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-5-morpholin-4-ylpentan-3-one?
The InChIKey is IGQQQGJDXZIOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c16-14-4-2-12(11-15(14)17)1-3-13(19)5-6-18-7-9-20-10-8-18/h2,4,11H,1,3,5-10H2.
What are the key properties of 1-(3,4-dichlorophenyl)-5-morpholin-4-ylpentan-3-one?
1-(3,4-dichlorophenyl)-5-morpholin-4-ylpentan-3-one has a molecular weight of 316.23 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-5-morpholin-4-ylpentan-3-one is sourced from PubChem (CID 12842163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).