1-(2,4-dichlorophenoxy)-3-(3-methylmorpholin-4-yl)propan-2-ol

C14H19Cl2NO3 — CID 110888294

IUPAC1-(2,4-dichlorophenoxy)-3-(3-methylmorpholin-4-yl)propan-2-ol
SMILESCC1COCCN1CC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO3/c1-10-8-19-5-4-17(10)7-12(18)9-20-14-3-2-11(15)6-13(14)16/h2-3,6,10,12,18H,4-5,7-9H2,1H3
InChIKeyANWFJKVJIWKMJJ-UHFFFAOYSA-N
MW320.22 g/mol
LogP2.45
Rot. Bonds5

About 1-(2,4-dichlorophenoxy)-3-(3-methylmorpholin-4-yl)propan-2-ol

1-(2,4-dichlorophenoxy)-3-(3-methylmorpholin-4-yl)propan-2-ol (PubChem CID 110888294) has the molecular formula C14H19Cl2NO3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-3-(3-methylmorpholin-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenoxy)-3-(3-methylmorpholin-4-yl)propan-2-ol
PubChem CID110888294
Molecular FormulaC14H19Cl2NO3
Molecular Weight320.22 g/mol
Exact Mass319.07
IUPAC Name1-(2,4-dichlorophenoxy)-3-(3-methylmorpholin-4-yl)propan-2-ol
SMILESCC1COCCN1CC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO3/c1-10-8-19-5-4-17(10)7-12(18)9-20-14-3-2-11(15)6-13(14)16/h2-3,6,10,12,18H,4-5,7-9H2,1H3
InChIKeyANWFJKVJIWKMJJ-UHFFFAOYSA-N
XLogP2.45
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-1-(3-methylmorpholin-4-yl)ethanone
CID 75765846
(2S)-1-(2,4-dichlorophenoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 7157659
(2S)-1-(2,4-dichlorophenoxy)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol
CID 6560044
(2S)-1-(4-chloro-2-methylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 11869844
3-[2-hydroxy-3-(3-methylmorpholin-4-yl)propoxy]benzenecarbothioamide
CID 43542129
1-benzhydryloxy-3-(3-methylmorpholin-4-yl)propan-2-ol
CID 110888215
(2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 51422995
3-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione
CID 39972535
(2S)-1-(2,4-dichlorophenoxy)-3-(2-methylimidazol-1-yl)propan-2-ol
CID 697663
1-(4-benzhydrylpiperazin-1-yl)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 2917495
(2R)-1-(2,4-dichlorophenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 31061722
1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol
CID 62628763

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)-3-(3-methylmorpholin-4-yl)propan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenoxy)-3-(3-methylmorpholin-4-yl)propan-2-ol (CID 110888294) is 1-(2,4-dichlorophenoxy)-3-(3-methylmorpholin-4-yl)propan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenoxy)-3-(3-methylmorpholin-4-yl)propan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenoxy)-3-(3-methylmorpholin-4-yl)propan-2-ol is CC1COCCN1CC(O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenoxy)-3-(3-methylmorpholin-4-yl)propan-2-ol?
The InChIKey is ANWFJKVJIWKMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3/c1-10-8-19-5-4-17(10)7-12(18)9-20-14-3-2-11(15)6-13(14)16/h2-3,6,10,12,18H,4-5,7-9H2,1H3.
What are the key properties of 1-(2,4-dichlorophenoxy)-3-(3-methylmorpholin-4-yl)propan-2-ol?
1-(2,4-dichlorophenoxy)-3-(3-methylmorpholin-4-yl)propan-2-ol has a molecular weight of 320.22 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenoxy)-3-(3-methylmorpholin-4-yl)propan-2-ol is sourced from PubChem (CID 110888294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).