(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one

C13H16ClNO3 — CID 898248

IUPAC(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)N1CCOCC1
InChIInChI=1S/C13H16ClNO3/c1-10(13(16)15-5-7-17-8-6-15)18-12-4-2-3-11(14)9-12/h2-4,9-10H,5-8H2,1H3/t10-/m0/s1
InChIKeyDMZZLGGYWFHHDE-JTQLQIEISA-N
MW269.73 g/mol
LogP1.97
Rot. Bonds3

About (2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one

(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one (PubChem CID 898248) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
PubChem CID898248
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)N1CCOCC1
InChIInChI=1S/C13H16ClNO3/c1-10(13(16)15-5-7-17-8-6-15)18-12-4-2-3-11(14)9-12/h2-4,9-10H,5-8H2,1H3/t10-/m0/s1
InChIKeyDMZZLGGYWFHHDE-JTQLQIEISA-N
XLogP1.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 95165980
(2S)-2-(3-chlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]propanamide
CID 94811457
(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 897812
2-(3-chlorophenoxy)-1-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]propan-1-one
CID 45189623
(2S)-2-(3-methoxyphenoxy)-1-morpholin-4-ylpropan-1-one
CID 92679202
2-(3-iodophenoxy)-1-morpholin-4-ylpropan-1-one
CID 21101274
2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one
CID 55185310
2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2931302
(2R)-2-(3-chlorophenoxy)-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one
CID 7405258
1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 55037082
2-(3-chlorophenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one
CID 112765505
(2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 1290925

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one (CID 898248) is (2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one is C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one?
The InChIKey is DMZZLGGYWFHHDE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-10(13(16)15-5-7-17-8-6-15)18-12-4-2-3-11(14)9-12/h2-4,9-10H,5-8H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one?
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one has a molecular weight of 269.73 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 898248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).