[(2R)-2-hydroxy-3-(2,4,6-trichlorophenoxy)propyl]-dimethylazanium

C11H15Cl3NO2+ — CID 1409843

IUPAC[(2R)-2-hydroxy-3-(2,4,6-trichlorophenoxy)propyl]-dimethylazanium
SMILESC[NH+](C)C[C@@H](O)COc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl3NO2/c1-15(2)5-8(16)6-17-11-9(13)3-7(12)4-10(11)14/h3-4,8,16H,5-6H2,1-2H3/p+1/t8-/m1/s1
InChIKeyIELWSMOKSKLORL-MRVPVSSYSA-O
MW299.61 g/mol
LogP1.53
Rot. Bonds5

About [(2R)-2-hydroxy-3-(2,4,6-trichlorophenoxy)propyl]-dimethylazanium

[(2R)-2-hydroxy-3-(2,4,6-trichlorophenoxy)propyl]-dimethylazanium (PubChem CID 1409843) has the molecular formula C11H15Cl3NO2+ and a molecular weight of 299.61 g/mol. Its IUPAC name is [(2R)-2-hydroxy-3-(2,4,6-trichlorophenoxy)propyl]-dimethylazanium.

Molecular Properties

Compound Name[(2R)-2-hydroxy-3-(2,4,6-trichlorophenoxy)propyl]-dimethylazanium
PubChem CID1409843
Molecular FormulaC11H15Cl3NO2+
Molecular Weight299.61 g/mol
Exact Mass298.02
IUPAC Name[(2R)-2-hydroxy-3-(2,4,6-trichlorophenoxy)propyl]-dimethylazanium
SMILESC[NH+](C)C[C@@H](O)COc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl3NO2/c1-15(2)5-8(16)6-17-11-9(13)3-7(12)4-10(11)14/h3-4,8,16H,5-6H2,1-2H3/p+1/t8-/m1/s1
InChIKeyIELWSMOKSKLORL-MRVPVSSYSA-O
XLogP1.53
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.61
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[2,6-dichloro-4-[[3,5-dichloro-4-[3-(dimethylazaniumyl)-2-hydroxypropoxy]phenyl]methyl]phenoxy]-2-hydroxypropyl]-dimethylazanium dichloride
CID 44655978
1-amino-3-(2,4,6-trichlorophenoxy)propan-2-ol
CID 16642389
(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol
CID 807758
1-cyclopropyl-2-(2,4,6-trichlorophenoxy)ethanol
CID 63907675
2-methyl-3-(2,4,6-trichlorophenoxy)propanethioamide
CID 43175363
1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol
CID 60884982
3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]propane-1,2-diol
CID 82849323
[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-dimethylazanium
CID 7452468
1-(2,6-dichloro-4-methylphenoxy)propan-2-ol
CID 90679727
(2-chloro-6-fluorophenyl)methyl-[(2S)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylazanium
CID 2090776
3,5-dichloro-2-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]benzaldehyde
CID 106990833
3,5-dichloro-2-(3-cyclopentyl-2-hydroxypropoxy)benzoic acid
CID 103158696

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-3-(2,4,6-trichlorophenoxy)propyl]-dimethylazanium?
The IUPAC name of [(2R)-2-hydroxy-3-(2,4,6-trichlorophenoxy)propyl]-dimethylazanium (CID 1409843) is [(2R)-2-hydroxy-3-(2,4,6-trichlorophenoxy)propyl]-dimethylazanium.
What is the SMILES notation for [(2R)-2-hydroxy-3-(2,4,6-trichlorophenoxy)propyl]-dimethylazanium?
The canonical SMILES for [(2R)-2-hydroxy-3-(2,4,6-trichlorophenoxy)propyl]-dimethylazanium is C[NH+](C)C[C@@H](O)COc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of [(2R)-2-hydroxy-3-(2,4,6-trichlorophenoxy)propyl]-dimethylazanium?
The InChIKey is IELWSMOKSKLORL-MRVPVSSYSA-O. The full InChI is InChI=1S/C11H14Cl3NO2/c1-15(2)5-8(16)6-17-11-9(13)3-7(12)4-10(11)14/h3-4,8,16H,5-6H2,1-2H3/p+1/t8-/m1/s1.
What are the key properties of [(2R)-2-hydroxy-3-(2,4,6-trichlorophenoxy)propyl]-dimethylazanium?
[(2R)-2-hydroxy-3-(2,4,6-trichlorophenoxy)propyl]-dimethylazanium has a molecular weight of 299.61 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-3-(2,4,6-trichlorophenoxy)propyl]-dimethylazanium is sourced from PubChem (CID 1409843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).