2-ethyl-6-(4-hydroxyphenoxy)oxane-3,4,5-triol

C13H18O6 — CID 70910366

IUPAC2-ethyl-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
SMILESCCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O
InChIInChI=1S/C13H18O6/c1-2-9-10(15)11(16)12(17)13(19-9)18-8-5-3-7(14)4-6-8/h3-6,9-17H,2H2,1H3
InChIKeyIDQAPMBROONXEK-UHFFFAOYSA-N
MW270.28 g/mol
LogP-0.01
Rot. Bonds3

About 2-ethyl-6-(4-hydroxyphenoxy)oxane-3,4,5-triol

2-ethyl-6-(4-hydroxyphenoxy)oxane-3,4,5-triol (PubChem CID 70910366) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-ethyl-6-(4-hydroxyphenoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-ethyl-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
PubChem CID70910366
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Name2-ethyl-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
SMILESCCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O
InChIInChI=1S/C13H18O6/c1-2-9-10(15)11(16)12(17)13(19-9)18-8-5-3-7(14)4-6-8/h3-6,9-17H,2H2,1H3
InChIKeyIDQAPMBROONXEK-UHFFFAOYSA-N
XLogP-0.01
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol;methanol
CID 90002408
(2S,3R,4R,5R)-2-(hydroxymethyl)-5-(4-hydroxyphenoxy)oxolane-3,4-diol
CID 54430133
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[4-(4-hydroxyphenyl)phenoxy]oxane-3,4,5-triol
CID 46838355
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl acetate
CID 5315513
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
CID 101456183
[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl 3-hydroxy-2-methylpropanoate
CID 101499282
2-(hydroxymethyl)-6-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol;methane
CID 159395031
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl 2-ethylhexanoate
CID 42636275
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl phosphate
CID 25245837
2-(4-ethylphenoxy)-6-(iodomethyl)oxane-3,4,5-triol
CID 3336704
(3S,4R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 146852325
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(4-methylphenoxy)oxane-3,4,5-triol
CID 26917484

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(4-hydroxyphenoxy)oxane-3,4,5-triol?
The IUPAC name of 2-ethyl-6-(4-hydroxyphenoxy)oxane-3,4,5-triol (CID 70910366) is 2-ethyl-6-(4-hydroxyphenoxy)oxane-3,4,5-triol.
What is the SMILES notation for 2-ethyl-6-(4-hydroxyphenoxy)oxane-3,4,5-triol?
The canonical SMILES for 2-ethyl-6-(4-hydroxyphenoxy)oxane-3,4,5-triol is CCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O.
What is the InChIKey of 2-ethyl-6-(4-hydroxyphenoxy)oxane-3,4,5-triol?
The InChIKey is IDQAPMBROONXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O6/c1-2-9-10(15)11(16)12(17)13(19-9)18-8-5-3-7(14)4-6-8/h3-6,9-17H,2H2,1H3.
What are the key properties of 2-ethyl-6-(4-hydroxyphenoxy)oxane-3,4,5-triol?
2-ethyl-6-(4-hydroxyphenoxy)oxane-3,4,5-triol has a molecular weight of 270.28 g/mol, XLogP of -0.01, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-hydroxyphenoxy)oxane-3,4,5-triol is sourced from PubChem (CID 70910366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).