6-(hydroxymethyl)-2-methoxy-2-(4-methylphenyl)oxane-3,4,5-triol

C14H20O6 — CID 59847082

IUPAC6-(hydroxymethyl)-2-methoxy-2-(4-methylphenyl)oxane-3,4,5-triol
SMILESCOC1(c2ccc(C)cc2)OC(CO)C(O)C(O)C1O
InChIInChI=1S/C14H20O6/c1-8-3-5-9(6-4-8)14(19-2)13(18)12(17)11(16)10(7-15)20-14/h3-6,10-13,15-18H,7H2,1-2H3
InChIKeyJQWMQALMSMWOTR-UHFFFAOYSA-N
MW284.31 g/mol
LogP-0.73
Rot. Bonds3

About 6-(hydroxymethyl)-2-methoxy-2-(4-methylphenyl)oxane-3,4,5-triol

6-(hydroxymethyl)-2-methoxy-2-(4-methylphenyl)oxane-3,4,5-triol (PubChem CID 59847082) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2-methoxy-2-(4-methylphenyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name6-(hydroxymethyl)-2-methoxy-2-(4-methylphenyl)oxane-3,4,5-triol
PubChem CID59847082
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name6-(hydroxymethyl)-2-methoxy-2-(4-methylphenyl)oxane-3,4,5-triol
SMILESCOC1(c2ccc(C)cc2)OC(CO)C(O)C(O)C1O
InChIInChI=1S/C14H20O6/c1-8-3-5-9(6-4-8)14(19-2)13(18)12(17)11(16)10(7-15)20-14/h3-6,10-13,15-18H,7H2,1-2H3
InChIKeyJQWMQALMSMWOTR-UHFFFAOYSA-N
XLogP-0.73
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R,5S)-2-[4-chloro-3-[(5-methyl-1-benzofuran-2-yl)methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
CID 144987568
(2S,3R,4S,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]-4-methylphenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
CID 118554113
[5-(4-fluorophenyl)thiophen-2-yl]-[2-methyl-5-[(6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]phenyl]methanone
CID 145275343
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
CID 126963547
(3R,4S,5S,6R)-2-[4-chloro-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
CID 90291666
2-[4-chloro-3-[(4-ethoxyphenyl)-dihydroxymethyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
CID 90877256
(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-prop-2-enoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
CID 86729319
2-[(4-ethylphenyl)methyl]-6-methylsulfanyl-4-[(2S,3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]benzonitrile
CID 163534176
(4S,5R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chlorophenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
CID 58446364
(3R,4S,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-methylphenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
CID 169440854
(3R,4S,5S,6R)-2-[4-chloro-3-[[4-[[(1R,5S)-6-methyl-3-bicyclo[3.1.0]hexanyl]oxy]phenyl]methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
CID 134331209
(2S,3R,4S,5S)-2-[2-bromo-5-[(4-ethylphenyl)methyl]-4-methylphenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
CID 163770687

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2-methoxy-2-(4-methylphenyl)oxane-3,4,5-triol?
The IUPAC name of 6-(hydroxymethyl)-2-methoxy-2-(4-methylphenyl)oxane-3,4,5-triol (CID 59847082) is 6-(hydroxymethyl)-2-methoxy-2-(4-methylphenyl)oxane-3,4,5-triol.
What is the SMILES notation for 6-(hydroxymethyl)-2-methoxy-2-(4-methylphenyl)oxane-3,4,5-triol?
The canonical SMILES for 6-(hydroxymethyl)-2-methoxy-2-(4-methylphenyl)oxane-3,4,5-triol is COC1(c2ccc(C)cc2)OC(CO)C(O)C(O)C1O.
What is the InChIKey of 6-(hydroxymethyl)-2-methoxy-2-(4-methylphenyl)oxane-3,4,5-triol?
The InChIKey is JQWMQALMSMWOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O6/c1-8-3-5-9(6-4-8)14(19-2)13(18)12(17)11(16)10(7-15)20-14/h3-6,10-13,15-18H,7H2,1-2H3.
What are the key properties of 6-(hydroxymethyl)-2-methoxy-2-(4-methylphenyl)oxane-3,4,5-triol?
6-(hydroxymethyl)-2-methoxy-2-(4-methylphenyl)oxane-3,4,5-triol has a molecular weight of 284.31 g/mol, XLogP of -0.73, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2-methoxy-2-(4-methylphenyl)oxane-3,4,5-triol is sourced from PubChem (CID 59847082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).