(2S)-1-(2,4-dichlorophenoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol

C15H21Cl2NO3 — CID 7157659

IUPAC(2S)-1-(2,4-dichlorophenoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
SMILESC[C@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@H](C)O1
InChIInChI=1S/C15H21Cl2NO3/c1-10-6-18(7-11(2)21-10)8-13(19)9-20-15-4-3-12(16)5-14(15)17/h3-5,10-11,13,19H,6-9H2,1-2H3/t10-,11-,13-/m0/s1
InChIKeyDEQCLMVGATVMOO-GVXVVHGQSA-N
MW334.24 g/mol
LogP2.84
Rot. Bonds5

About (2S)-1-(2,4-dichlorophenoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol

(2S)-1-(2,4-dichlorophenoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol (PubChem CID 7157659) has the molecular formula C15H21Cl2NO3 and a molecular weight of 334.24 g/mol. Its IUPAC name is (2S)-1-(2,4-dichlorophenoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2,4-dichlorophenoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
PubChem CID7157659
Molecular FormulaC15H21Cl2NO3
Molecular Weight334.24 g/mol
Exact Mass333.09
IUPAC Name(2S)-1-(2,4-dichlorophenoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
SMILESC[C@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@H](C)O1
InChIInChI=1S/C15H21Cl2NO3/c1-10-6-18(7-11(2)21-10)8-13(19)9-20-15-4-3-12(16)5-14(15)17/h3-5,10-11,13,19H,6-9H2,1-2H3/t10-,11-,13-/m0/s1
InChIKeyDEQCLMVGATVMOO-GVXVVHGQSA-N
XLogP2.84
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(2,4-dichlorophenoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol with MolForge

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Related Compounds

1-(2-chloro-4-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 110884437
1-(2-chlorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride
CID 16807392
1-(2,5-difluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 109415726
(2S)-1-(2,4-dichlorophenoxy)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol
CID 6560044
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol
CID 7150363
1-(2-aminophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 43173893
(2S)-1-(4-chloro-3,5-dimethylphenoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 1351789
(2S)-1-[2-(4-chlorophenoxy)ethoxy]-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 7165338
1-(2,4-dichlorophenoxy)-3-(3-methylmorpholin-4-yl)propan-2-ol
CID 110888294
(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 7125674
1-(2,6-dimethylmorpholin-4-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
CID 16807205
1-(4-bromo-3-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 59563422

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,4-dichlorophenoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The IUPAC name of (2S)-1-(2,4-dichlorophenoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol (CID 7157659) is (2S)-1-(2,4-dichlorophenoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-(2,4-dichlorophenoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The canonical SMILES for (2S)-1-(2,4-dichlorophenoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol is C[C@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@H](C)O1.
What is the InChIKey of (2S)-1-(2,4-dichlorophenoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The InChIKey is DEQCLMVGATVMOO-GVXVVHGQSA-N. The full InChI is InChI=1S/C15H21Cl2NO3/c1-10-6-18(7-11(2)21-10)8-13(19)9-20-15-4-3-12(16)5-14(15)17/h3-5,10-11,13,19H,6-9H2,1-2H3/t10-,11-,13-/m0/s1.
What are the key properties of (2S)-1-(2,4-dichlorophenoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
(2S)-1-(2,4-dichlorophenoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol has a molecular weight of 334.24 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,4-dichlorophenoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol is sourced from PubChem (CID 7157659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).