1-(3,4-dichlorophenyl)-3-morpholin-4-ylpropan-2-one

C13H15Cl2NO2 — CID 67707252

IUPAC1-(3,4-dichlorophenyl)-3-morpholin-4-ylpropan-2-one
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)CN1CCOCC1
InChIInChI=1S/C13H15Cl2NO2/c14-12-2-1-10(8-13(12)15)7-11(17)9-16-3-5-18-6-4-16/h1-2,8H,3-7,9H2
InChIKeyOZFUMNQCKXYCKC-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.44
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-morpholin-4-ylpropan-2-one

1-(3,4-dichlorophenyl)-3-morpholin-4-ylpropan-2-one (PubChem CID 67707252) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-morpholin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-morpholin-4-ylpropan-2-one
PubChem CID67707252
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name1-(3,4-dichlorophenyl)-3-morpholin-4-ylpropan-2-one
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)CN1CCOCC1
InChIInChI=1S/C13H15Cl2NO2/c14-12-2-1-10(8-13(12)15)7-11(17)9-16-3-5-18-6-4-16/h1-2,8H,3-7,9H2
InChIKeyOZFUMNQCKXYCKC-UHFFFAOYSA-N
XLogP2.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
1-(4-fluorophenyl)-3-(1,4-oxazepan-4-yl)propan-2-one
CID 62973974
1-(3,4-dichlorophenyl)-3-(oxan-4-yl)propan-2-one
CID 62622306
N-[4-(3-morpholin-4-yl-2-oxopropyl)phenyl]methanesulfonamide
CID 67707285
1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
1-morpholin-4-yl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-one
CID 158521413
N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethylidene]hydroxylamine
CID 164862221
1-[(3,4-dichlorophenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 30311979
2-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylethanone
CID 10422618
1-(3-amino-4-chlorophenyl)-2-morpholin-4-ylethanone
CID 82482111
1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one
CID 116549406
N-(3,4-dichlorophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 78835221

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-morpholin-4-ylpropan-2-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-morpholin-4-ylpropan-2-one (CID 67707252) is 1-(3,4-dichlorophenyl)-3-morpholin-4-ylpropan-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-morpholin-4-ylpropan-2-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-morpholin-4-ylpropan-2-one is O=C(Cc1ccc(Cl)c(Cl)c1)CN1CCOCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-morpholin-4-ylpropan-2-one?
The InChIKey is OZFUMNQCKXYCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c14-12-2-1-10(8-13(12)15)7-11(17)9-16-3-5-18-6-4-16/h1-2,8H,3-7,9H2.
What are the key properties of 1-(3,4-dichlorophenyl)-3-morpholin-4-ylpropan-2-one?
1-(3,4-dichlorophenyl)-3-morpholin-4-ylpropan-2-one has a molecular weight of 288.17 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-morpholin-4-ylpropan-2-one is sourced from PubChem (CID 67707252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).