(2S)-3-(2-amino-4,6-dimethoxyphenoxy)propane-1,2-diol

C11H17NO5 — CID 124673411

IUPAC(2S)-3-(2-amino-4,6-dimethoxyphenoxy)propane-1,2-diol
SMILESCOc1cc(N)c(OC[C@@H](O)CO)c(OC)c1
InChIInChI=1S/C11H17NO5/c1-15-8-3-9(12)11(10(4-8)16-2)17-6-7(14)5-13/h3-4,7,13-14H,5-6,12H2,1-2H3/t7-/m0/s1
InChIKeyDEIUGOPSKRPWJM-ZETCQYMHSA-N
MW243.26 g/mol
LogP0.02
Rot. Bonds6

About (2S)-3-(2-amino-4,6-dimethoxyphenoxy)propane-1,2-diol

(2S)-3-(2-amino-4,6-dimethoxyphenoxy)propane-1,2-diol (PubChem CID 124673411) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is (2S)-3-(2-amino-4,6-dimethoxyphenoxy)propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-(2-amino-4,6-dimethoxyphenoxy)propane-1,2-diol
PubChem CID124673411
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name(2S)-3-(2-amino-4,6-dimethoxyphenoxy)propane-1,2-diol
SMILESCOc1cc(N)c(OC[C@@H](O)CO)c(OC)c1
InChIInChI=1S/C11H17NO5/c1-15-8-3-9(12)11(10(4-8)16-2)17-6-7(14)5-13/h3-4,7,13-14H,5-6,12H2,1-2H3/t7-/m0/s1
InChIKeyDEIUGOPSKRPWJM-ZETCQYMHSA-N
XLogP0.02
TPSA94.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-5-methoxyphenoxy)propane-1,2-diol
CID 102702275
3-(4-amino-2-methoxyphenoxy)propane-1,2-diol
CID 82842415
2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxyphenyl)ethanol
CID 46307294
2-[(R)-2-(2-amino-4,6-dimethoxyphenoxy)ethylsulfinyl]ethanol
CID 124673409
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol
CID 82850808
3-[2-(aminomethyl)-4-methoxyphenoxy]propane-1,2-diol
CID 82843216
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
(2R)-3-(2-chloro-6-methoxyphenoxy)propane-1,2-diol
CID 141307295
3-[3-amino-5-(2,3-dihydroxypropoxy)phenoxy]propane-1,2-diol
CID 70408589
2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-phenylethanol
CID 46307287
3-[5-methoxy-2-(methylaminomethyl)phenoxy]propane-1,2-diol
CID 82850992
3-(4-hydroxy-3-methoxyphenoxy)propane-1,2-diol;sulfuric acid
CID 175056796

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-amino-4,6-dimethoxyphenoxy)propane-1,2-diol?
The IUPAC name of (2S)-3-(2-amino-4,6-dimethoxyphenoxy)propane-1,2-diol (CID 124673411) is (2S)-3-(2-amino-4,6-dimethoxyphenoxy)propane-1,2-diol.
What is the SMILES notation for (2S)-3-(2-amino-4,6-dimethoxyphenoxy)propane-1,2-diol?
The canonical SMILES for (2S)-3-(2-amino-4,6-dimethoxyphenoxy)propane-1,2-diol is COc1cc(N)c(OC[C@@H](O)CO)c(OC)c1.
What is the InChIKey of (2S)-3-(2-amino-4,6-dimethoxyphenoxy)propane-1,2-diol?
The InChIKey is DEIUGOPSKRPWJM-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H17NO5/c1-15-8-3-9(12)11(10(4-8)16-2)17-6-7(14)5-13/h3-4,7,13-14H,5-6,12H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-3-(2-amino-4,6-dimethoxyphenoxy)propane-1,2-diol?
(2S)-3-(2-amino-4,6-dimethoxyphenoxy)propane-1,2-diol has a molecular weight of 243.26 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-amino-4,6-dimethoxyphenoxy)propane-1,2-diol is sourced from PubChem (CID 124673411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).