2-[(R)-2-(2-amino-4,6-dimethoxyphenoxy)ethylsulfinyl]ethanol

C12H19NO5S — CID 124673409

IUPAC2-[(R)-2-(2-amino-4,6-dimethoxyphenoxy)ethylsulfinyl]ethanol
SMILESCOc1cc(N)c(OCC[S@](=O)CCO)c(OC)c1
InChIInChI=1S/C12H19NO5S/c1-16-9-7-10(13)12(11(8-9)17-2)18-4-6-19(15)5-3-14/h7-8,14H,3-6,13H2,1-2H3/t19-/m1/s1
InChIKeyZAHDNBIBVVDZJJ-LJQANCHMSA-N
MW289.35 g/mol
LogP0.41
Rot. Bonds8

About 2-[(R)-2-(2-amino-4,6-dimethoxyphenoxy)ethylsulfinyl]ethanol

2-[(R)-2-(2-amino-4,6-dimethoxyphenoxy)ethylsulfinyl]ethanol (PubChem CID 124673409) has the molecular formula C12H19NO5S and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-[(R)-2-(2-amino-4,6-dimethoxyphenoxy)ethylsulfinyl]ethanol.

Molecular Properties

Compound Name2-[(R)-2-(2-amino-4,6-dimethoxyphenoxy)ethylsulfinyl]ethanol
PubChem CID124673409
Molecular FormulaC12H19NO5S
Molecular Weight289.35 g/mol
Exact Mass289.10
IUPAC Name2-[(R)-2-(2-amino-4,6-dimethoxyphenoxy)ethylsulfinyl]ethanol
SMILESCOc1cc(N)c(OCC[S@](=O)CCO)c(OC)c1
InChIInChI=1S/C12H19NO5S/c1-16-9-7-10(13)12(11(8-9)17-2)18-4-6-19(15)5-3-14/h7-8,14H,3-6,13H2,1-2H3/t19-/m1/s1
InChIKeyZAHDNBIBVVDZJJ-LJQANCHMSA-N
XLogP0.41
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-(2-amino-4,6-dimethoxyphenoxy)propane-1,2-diol
CID 124673411
2-hexoxy-1,3,5-trimethoxybenzene
CID 54146903
2,3,5-trimethoxybenzenesulfinate
CID 67493178
5,7-dimethoxy-1H-indol-3-amine
CID 82402843
3,5-dimethoxy-2-methylaniline;hydrochloride
CID 91663006
5-(2-amino-5-methoxyphenoxy)pentan-1-ol
CID 102702306
methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate
CID 122501384
2,5-dimethoxy-3-phenylmethoxyaniline
CID 168869511
(2,4,6-trimethoxyphenyl) acetate
CID 68597137
3,5-dimethoxy-2-propylaniline
CID 141261453
ethane;3-(4-methoxy-2,6-dimethylphenoxy)propan-1-ol
CID 91115975
2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxyphenyl)ethanol
CID 46307294

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-2-(2-amino-4,6-dimethoxyphenoxy)ethylsulfinyl]ethanol?
The IUPAC name of 2-[(R)-2-(2-amino-4,6-dimethoxyphenoxy)ethylsulfinyl]ethanol (CID 124673409) is 2-[(R)-2-(2-amino-4,6-dimethoxyphenoxy)ethylsulfinyl]ethanol.
What is the SMILES notation for 2-[(R)-2-(2-amino-4,6-dimethoxyphenoxy)ethylsulfinyl]ethanol?
The canonical SMILES for 2-[(R)-2-(2-amino-4,6-dimethoxyphenoxy)ethylsulfinyl]ethanol is COc1cc(N)c(OCC[S@](=O)CCO)c(OC)c1.
What is the InChIKey of 2-[(R)-2-(2-amino-4,6-dimethoxyphenoxy)ethylsulfinyl]ethanol?
The InChIKey is ZAHDNBIBVVDZJJ-LJQANCHMSA-N. The full InChI is InChI=1S/C12H19NO5S/c1-16-9-7-10(13)12(11(8-9)17-2)18-4-6-19(15)5-3-14/h7-8,14H,3-6,13H2,1-2H3/t19-/m1/s1.
What are the key properties of 2-[(R)-2-(2-amino-4,6-dimethoxyphenoxy)ethylsulfinyl]ethanol?
2-[(R)-2-(2-amino-4,6-dimethoxyphenoxy)ethylsulfinyl]ethanol has a molecular weight of 289.35 g/mol, XLogP of 0.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-2-(2-amino-4,6-dimethoxyphenoxy)ethylsulfinyl]ethanol is sourced from PubChem (CID 124673409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).