1-(3-chloro-4-propan-2-yloxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone

C17H24ClNO3 — CID 82052943

IUPAC1-(3-chloro-4-propan-2-yloxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC(C)Oc1ccc(C(=O)CN2CC(C)OC(C)C2)cc1Cl
InChIInChI=1S/C17H24ClNO3/c1-11(2)21-17-6-5-14(7-15(17)18)16(20)10-19-8-12(3)22-13(4)9-19/h5-7,11-13H,8-10H2,1-4H3
InChIKeyFYSWDRMIMLIUGB-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.42
Rot. Bonds5

About 1-(3-chloro-4-propan-2-yloxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone

1-(3-chloro-4-propan-2-yloxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 82052943) has the molecular formula C17H24ClNO3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 1-(3-chloro-4-propan-2-yloxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-propan-2-yloxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID82052943
Molecular FormulaC17H24ClNO3
Molecular Weight325.84 g/mol
Exact Mass325.14
IUPAC Name1-(3-chloro-4-propan-2-yloxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC(C)Oc1ccc(C(=O)CN2CC(C)OC(C)C2)cc1Cl
InChIInChI=1S/C17H24ClNO3/c1-11(2)21-17-6-5-14(7-15(17)18)16(20)10-19-8-12(3)22-13(4)9-19/h5-7,11-13H,8-10H2,1-4H3
InChIKeyFYSWDRMIMLIUGB-UHFFFAOYSA-N
XLogP3.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethylmorpholin-4-yl)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
CID 82051568
1-(3,4-dichlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102933524
1-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanone
CID 82052874
3-(azepan-1-yl)-1-(3-chloro-4-propan-2-yloxyphenyl)propan-1-one
CID 82052934
2-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone
CID 4579108
2-(2,6-dimethylmorpholin-4-yl)-1-[4-(2-methylpropoxy)phenyl]ethanone
CID 82050428
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methoxyphenyl)ethanone
CID 93026009
3-chloro-4-propan-2-yloxybenzoic acid
CID 22597728
(3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone
CID 82292335
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(4-ethoxyphenyl)ethanone
CID 93026036
1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 43227090
2-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone
CID 82051054

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-propan-2-yloxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 1-(3-chloro-4-propan-2-yloxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone (CID 82052943) is 1-(3-chloro-4-propan-2-yloxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 1-(3-chloro-4-propan-2-yloxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 1-(3-chloro-4-propan-2-yloxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone is CC(C)Oc1ccc(C(=O)CN2CC(C)OC(C)C2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-propan-2-yloxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is FYSWDRMIMLIUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO3/c1-11(2)21-17-6-5-14(7-15(17)18)16(20)10-19-8-12(3)22-13(4)9-19/h5-7,11-13H,8-10H2,1-4H3.
What are the key properties of 1-(3-chloro-4-propan-2-yloxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone?
1-(3-chloro-4-propan-2-yloxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 325.84 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-propan-2-yloxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 82052943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).