[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium

C9H12Cl2NO2+ — CID 9159109

IUPAC[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium
SMILES[NH3+]C[C@H](O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H11Cl2NO2/c10-6-1-2-8(11)9(3-6)14-5-7(13)4-12/h1-3,7,13H,4-5,12H2/p+1/t7-/m0/s1
InChIKeyGZFSQWVTRGNOJS-ZETCQYMHSA-O
MW237.11 g/mol
LogP0.98
Rot. Bonds4

About [(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium

[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium (PubChem CID 9159109) has the molecular formula C9H12Cl2NO2+ and a molecular weight of 237.11 g/mol. Its IUPAC name is [(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium.

Molecular Properties

Compound Name[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium
PubChem CID9159109
Molecular FormulaC9H12Cl2NO2+
Molecular Weight237.11 g/mol
Exact Mass236.02
IUPAC Name[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium
SMILES[NH3+]C[C@H](O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H11Cl2NO2/c10-6-1-2-8(11)9(3-6)14-5-7(13)4-12/h1-3,7,13H,4-5,12H2/p+1/t7-/m0/s1
InChIKeyGZFSQWVTRGNOJS-ZETCQYMHSA-O
XLogP0.98
TPSA57.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.11
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2,5-dichlorophenoxy)propan-2-ol
CID 106933028
1-(2,5-dichlorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol
CID 115609657
3-[[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol
CID 65111839
1-(2,5-dichlorophenoxy)-3-(prop-2-enylamino)propan-2-ol
CID 3542105
1-(2,5-dichlorophenoxy)-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103746646
(2S)-1-(2,5-dichlorophenoxy)-3-(prop-2-enylamino)propan-2-ol
CID 2114447
[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]-methylsulfamic acid
CID 2832246
methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60649077
1-(2,5-dichlorophenoxy)-3-(hexylamino)propan-2-ol
CID 60635678
[(1R)-1-(3-chlorophenyl)ethyl]-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium
CID 2520203
1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)propan-2-ol
CID 62119307
1-(2,5-dichlorophenoxy)-3-[1-(dimethylamino)propan-2-ylamino]propan-2-ol
CID 82939369

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium?
The IUPAC name of [(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium (CID 9159109) is [(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium.
What is the SMILES notation for [(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium?
The canonical SMILES for [(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium is [NH3+]C[C@H](O)COc1cc(Cl)ccc1Cl.
What is the InChIKey of [(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium?
The InChIKey is GZFSQWVTRGNOJS-ZETCQYMHSA-O. The full InChI is InChI=1S/C9H11Cl2NO2/c10-6-1-2-8(11)9(3-6)14-5-7(13)4-12/h1-3,7,13H,4-5,12H2/p+1/t7-/m0/s1.
What are the key properties of [(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium?
[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium has a molecular weight of 237.11 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium is sourced from PubChem (CID 9159109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).