6-(4-chloro-3-methoxyphenyl)-4-propylmorpholin-3-one

C14H18ClNO3 — CID 57440705

IUPAC6-(4-chloro-3-methoxyphenyl)-4-propylmorpholin-3-one
SMILESCCCN1CC(c2ccc(Cl)c(OC)c2)OCC1=O
InChIInChI=1S/C14H18ClNO3/c1-3-6-16-8-13(19-9-14(16)17)10-4-5-11(15)12(7-10)18-2/h4-5,7,13H,3,6,8-9H2,1-2H3
InChIKeyWHTKKFJNNCGJKL-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.66
Rot. Bonds4

About 6-(4-chloro-3-methoxyphenyl)-4-propylmorpholin-3-one

6-(4-chloro-3-methoxyphenyl)-4-propylmorpholin-3-one (PubChem CID 57440705) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 6-(4-chloro-3-methoxyphenyl)-4-propylmorpholin-3-one.

Molecular Properties

Compound Name6-(4-chloro-3-methoxyphenyl)-4-propylmorpholin-3-one
PubChem CID57440705
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name6-(4-chloro-3-methoxyphenyl)-4-propylmorpholin-3-one
SMILESCCCN1CC(c2ccc(Cl)c(OC)c2)OCC1=O
InChIInChI=1S/C14H18ClNO3/c1-3-6-16-8-13(19-9-14(16)17)10-4-5-11(15)12(7-10)18-2/h4-5,7,13H,3,6,8-9H2,1-2H3
InChIKeyWHTKKFJNNCGJKL-UHFFFAOYSA-N
XLogP2.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-[2-(2,3-dihydro-1H-inden-2-yl)ethoxy]-4-methoxyphenyl]-4-methylmorpholin-3-one
CID 70225326
(6R)-6-(4-bromophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-3-one
CID 67352581
(6S)-6-(4-chlorophenyl)-4-methylmorpholin-3-one
CID 67352258
(6S)-4-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)morpholin-3-one
CID 67354355
(6S)-4-benzyl-6-(4-fluoro-2-methoxyphenyl)morpholin-3-one
CID 72725322
[4-(4-ethyl-5-oxomorpholin-2-yl)phenyl] methanesulfonate
CID 78068691
2-[[2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one
CID 56919206
(6R)-4-ethyl-6-(4-phenylmethoxyphenyl)morpholin-3-one
CID 67354065
(6S)-6-(4-fluorophenyl)-4-(2-phenylethyl)morpholin-3-one
CID 15982290
3-(3,4-dimethoxyphenyl)-1-propylpiperidin-2-one
CID 11288928
3-[2-[4-(2,6-dimethylphenoxy)phenyl]-5-oxomorpholin-4-yl]propanoic acid
CID 56598324
4-(3-chloro-4-methoxyphenyl)-1-ethyl-3-methylimidazolidin-2-one
CID 116983020

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-methoxyphenyl)-4-propylmorpholin-3-one?
The IUPAC name of 6-(4-chloro-3-methoxyphenyl)-4-propylmorpholin-3-one (CID 57440705) is 6-(4-chloro-3-methoxyphenyl)-4-propylmorpholin-3-one.
What is the SMILES notation for 6-(4-chloro-3-methoxyphenyl)-4-propylmorpholin-3-one?
The canonical SMILES for 6-(4-chloro-3-methoxyphenyl)-4-propylmorpholin-3-one is CCCN1CC(c2ccc(Cl)c(OC)c2)OCC1=O.
What is the InChIKey of 6-(4-chloro-3-methoxyphenyl)-4-propylmorpholin-3-one?
The InChIKey is WHTKKFJNNCGJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-3-6-16-8-13(19-9-14(16)17)10-4-5-11(15)12(7-10)18-2/h4-5,7,13H,3,6,8-9H2,1-2H3.
What are the key properties of 6-(4-chloro-3-methoxyphenyl)-4-propylmorpholin-3-one?
6-(4-chloro-3-methoxyphenyl)-4-propylmorpholin-3-one has a molecular weight of 283.75 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-methoxyphenyl)-4-propylmorpholin-3-one is sourced from PubChem (CID 57440705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).