2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone

C14H18ClNO3 — CID 973581

IUPAC2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
SMILESC[C@@H]1CN(C(=O)COc2ccccc2Cl)C[C@H](C)O1
InChIInChI=1S/C14H18ClNO3/c1-10-7-16(8-11(2)19-10)14(17)9-18-13-6-4-3-5-12(13)15/h3-6,10-11H,7-9H2,1-2H3/t10-,11+
InChIKeyYDHBRJUDKBCXPX-PHIMTYICSA-N
MW283.75 g/mol
LogP2.35
Rot. Bonds3

About 2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone

2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone (PubChem CID 973581) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
PubChem CID973581
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
SMILESC[C@@H]1CN(C(=O)COc2ccccc2Cl)C[C@H](C)O1
InChIInChI=1S/C14H18ClNO3/c1-10-7-16(8-11(2)19-10)14(17)9-18-13-6-4-3-5-12(13)15/h3-6,10-11H,7-9H2,1-2H3/t10-,11+
InChIKeyYDHBRJUDKBCXPX-PHIMTYICSA-N
XLogP2.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 16772853
2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]benzamide
CID 7283920
methyl 2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]benzoate
CID 2445011
N-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]phenyl]acetamide
CID 7867396
2-(2-bromo-4-chlorophenoxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 2961166
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone
CID 102934123
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3545684
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 23856365
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
2-(2,5-dichlorophenoxy)-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 55672943
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone
CID 27233616
2-(2-chlorophenoxy)-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone
CID 110108168

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone (CID 973581) is 2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone is C[C@@H]1CN(C(=O)COc2ccccc2Cl)C[C@H](C)O1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone?
The InChIKey is YDHBRJUDKBCXPX-PHIMTYICSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-10-7-16(8-11(2)19-10)14(17)9-18-13-6-4-3-5-12(13)15/h3-6,10-11H,7-9H2,1-2H3/t10-,11+.
What are the key properties of 2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone?
2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone has a molecular weight of 283.75 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 973581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).