4-(3-chlorophenyl)-1-(3-methylmorpholin-4-yl)butan-1-one

C15H20ClNO2 — CID 110631138

IUPAC4-(3-chlorophenyl)-1-(3-methylmorpholin-4-yl)butan-1-one
SMILESCC1COCCN1C(=O)CCCc1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO2/c1-12-11-19-9-8-17(12)15(18)7-3-5-13-4-2-6-14(16)10-13/h2,4,6,10,12H,3,5,7-9,11H2,1H3
InChIKeyUGSYRRZUFIIQJT-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.91
Rot. Bonds4

About 4-(3-chlorophenyl)-1-(3-methylmorpholin-4-yl)butan-1-one

4-(3-chlorophenyl)-1-(3-methylmorpholin-4-yl)butan-1-one (PubChem CID 110631138) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-(3-methylmorpholin-4-yl)butan-1-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-(3-methylmorpholin-4-yl)butan-1-one
PubChem CID110631138
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name4-(3-chlorophenyl)-1-(3-methylmorpholin-4-yl)butan-1-one
SMILESCC1COCCN1C(=O)CCCc1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO2/c1-12-11-19-9-8-17(12)15(18)7-3-5-13-4-2-6-14(16)10-13/h2,4,6,10,12H,3,5,7-9,11H2,1H3
InChIKeyUGSYRRZUFIIQJT-UHFFFAOYSA-N
XLogP2.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione
CID 110631141
3-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
CID 93112029
4-(3-chlorophenyl)-1-(6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazin-4-yl)butan-1-one
CID 110629070
2-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone
CID 106773667
2-(2,4-dichlorophenoxy)-1-(3-methylmorpholin-4-yl)ethanone
CID 75765846
3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one
CID 110631026
4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 93111675
6-(3-chlorophenyl)-2,2-dimethylhexan-3-one
CID 64505258
1-[(3S)-3-methylmorpholin-4-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one
CID 94647439
1-(3-chlorophenyl)-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea
CID 110352872
6-amino-1-[(3R)-3-methylmorpholin-4-yl]hexan-1-one
CID 106774401
4-(methylamino)-1-(3-methylmorpholin-4-yl)butan-1-one
CID 60842403

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-(3-methylmorpholin-4-yl)butan-1-one?
The IUPAC name of 4-(3-chlorophenyl)-1-(3-methylmorpholin-4-yl)butan-1-one (CID 110631138) is 4-(3-chlorophenyl)-1-(3-methylmorpholin-4-yl)butan-1-one.
What is the SMILES notation for 4-(3-chlorophenyl)-1-(3-methylmorpholin-4-yl)butan-1-one?
The canonical SMILES for 4-(3-chlorophenyl)-1-(3-methylmorpholin-4-yl)butan-1-one is CC1COCCN1C(=O)CCCc1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-1-(3-methylmorpholin-4-yl)butan-1-one?
The InChIKey is UGSYRRZUFIIQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-12-11-19-9-8-17(12)15(18)7-3-5-13-4-2-6-14(16)10-13/h2,4,6,10,12H,3,5,7-9,11H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-1-(3-methylmorpholin-4-yl)butan-1-one?
4-(3-chlorophenyl)-1-(3-methylmorpholin-4-yl)butan-1-one has a molecular weight of 281.78 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-(3-methylmorpholin-4-yl)butan-1-one is sourced from PubChem (CID 110631138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).