2-(4-hydroxy-2-methoxyphenoxy)-6-methyloxane-3,4,5-triol

C13H18O7 — CID 73236373

IUPAC2-(4-hydroxy-2-methoxyphenoxy)-6-methyloxane-3,4,5-triol
SMILESCOc1cc(O)ccc1OC1OC(C)C(O)C(O)C1O
InChIInChI=1S/C13H18O7/c1-6-10(15)11(16)12(17)13(19-6)20-8-4-3-7(14)5-9(8)18-2/h3-6,10-17H,1-2H3
InChIKeyFQWHJDFVWIHSEC-UHFFFAOYSA-N
MW286.28 g/mol
LogP-0.39
Rot. Bonds3

About 2-(4-hydroxy-2-methoxyphenoxy)-6-methyloxane-3,4,5-triol

2-(4-hydroxy-2-methoxyphenoxy)-6-methyloxane-3,4,5-triol (PubChem CID 73236373) has the molecular formula C13H18O7 and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-(4-hydroxy-2-methoxyphenoxy)-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name2-(4-hydroxy-2-methoxyphenoxy)-6-methyloxane-3,4,5-triol
PubChem CID73236373
Molecular FormulaC13H18O7
Molecular Weight286.28 g/mol
Exact Mass286.11
IUPAC Name2-(4-hydroxy-2-methoxyphenoxy)-6-methyloxane-3,4,5-triol
SMILESCOc1cc(O)ccc1OC1OC(C)C(O)C(O)C1O
InChIInChI=1S/C13H18O7/c1-6-10(15)11(16)12(17)13(19-6)20-8-4-3-7(14)5-9(8)18-2/h3-6,10-17H,1-2H3
InChIKeyFQWHJDFVWIHSEC-UHFFFAOYSA-N
XLogP-0.39
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,4S)-2-(4-hydroxy-2-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70943555
(2S,3R,4R,5S,6R)-2-(4-hydroxy-2-methoxyphenoxy)-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
CID 102274085
(2R,3R,4R,5R,6R)-2-[[(2S,3S,4R,5S,6S)-6-(3,4-dimethoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
CID 162997864
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxy-2-methoxyphenoxy)oxan-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate
CID 86337936
[2,4-dihydroxy-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-(4-hydroxyphenyl)methanone
CID 42636397
[2,4-dihydroxy-6-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-(4-hydroxyphenyl)methanone
CID 101458723
(2S,3R,4R,5S,6S)-2-methyl-6-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(2-methoxy-4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
CID 163052931
(2S,3R,4S,5S,6R)-2-(2,5-dihydroxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10755761
1,5-dihydroxy-8-methoxy-2-methyl-3-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyanthracene-9,10-dione
CID 162938382
(2R,3R,4R,5R,6R)-2-[[(2S,3S,4S,5R,6S)-6-[4-[(3R,3aR,6R,6aS)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
CID 162872033
2-methyl-6-[[3,4,5-trihydroxy-6-[4-[3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
CID 3802021
(2R,3R,4R,5R,6R)-2-methyl-6-[[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxy-3-methoxyphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
CID 163049795

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2-methoxyphenoxy)-6-methyloxane-3,4,5-triol?
The IUPAC name of 2-(4-hydroxy-2-methoxyphenoxy)-6-methyloxane-3,4,5-triol (CID 73236373) is 2-(4-hydroxy-2-methoxyphenoxy)-6-methyloxane-3,4,5-triol.
What is the SMILES notation for 2-(4-hydroxy-2-methoxyphenoxy)-6-methyloxane-3,4,5-triol?
The canonical SMILES for 2-(4-hydroxy-2-methoxyphenoxy)-6-methyloxane-3,4,5-triol is COc1cc(O)ccc1OC1OC(C)C(O)C(O)C1O.
What is the InChIKey of 2-(4-hydroxy-2-methoxyphenoxy)-6-methyloxane-3,4,5-triol?
The InChIKey is FQWHJDFVWIHSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O7/c1-6-10(15)11(16)12(17)13(19-6)20-8-4-3-7(14)5-9(8)18-2/h3-6,10-17H,1-2H3.
What are the key properties of 2-(4-hydroxy-2-methoxyphenoxy)-6-methyloxane-3,4,5-triol?
2-(4-hydroxy-2-methoxyphenoxy)-6-methyloxane-3,4,5-triol has a molecular weight of 286.28 g/mol, XLogP of -0.39, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2-methoxyphenoxy)-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 73236373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).