[2-(hydroxymethyl)-5-(2,4,6-trimethoxyphenyl)-1,3-dioxan-2-yl]methanol

C15H22O7 — CID 132605134

IUPAC[2-(hydroxymethyl)-5-(2,4,6-trimethoxyphenyl)-1,3-dioxan-2-yl]methanol
SMILESCOc1cc(OC)c(C2COC(CO)(CO)OC2)c(OC)c1
InChIInChI=1S/C15H22O7/c1-18-11-4-12(19-2)14(13(5-11)20-3)10-6-21-15(8-16,9-17)22-7-10/h4-5,10,16-17H,6-9H2,1-3H3
InChIKeyOOTXYHJAXBEJSN-UHFFFAOYSA-N
MW314.33 g/mol
LogP0.52
Rot. Bonds6

About [2-(hydroxymethyl)-5-(2,4,6-trimethoxyphenyl)-1,3-dioxan-2-yl]methanol

[2-(hydroxymethyl)-5-(2,4,6-trimethoxyphenyl)-1,3-dioxan-2-yl]methanol (PubChem CID 132605134) has the molecular formula C15H22O7 and a molecular weight of 314.33 g/mol. Its IUPAC name is [2-(hydroxymethyl)-5-(2,4,6-trimethoxyphenyl)-1,3-dioxan-2-yl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-5-(2,4,6-trimethoxyphenyl)-1,3-dioxan-2-yl]methanol
PubChem CID132605134
Molecular FormulaC15H22O7
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name[2-(hydroxymethyl)-5-(2,4,6-trimethoxyphenyl)-1,3-dioxan-2-yl]methanol
SMILESCOc1cc(OC)c(C2COC(CO)(CO)OC2)c(OC)c1
InChIInChI=1S/C15H22O7/c1-18-11-4-12(19-2)14(13(5-11)20-3)10-6-21-15(8-16,9-17)22-7-10/h4-5,10,16-17H,6-9H2,1-3H3
InChIKeyOOTXYHJAXBEJSN-UHFFFAOYSA-N
XLogP0.52
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol
CID 116829748
[1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropyl]methanol
CID 116928893
N-ethyl-4,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 43589787
1-methyl-4-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one
CID 154196757
4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 84628790
2-(2-methylpropanoyl)-5-(2,4,6-trimethoxyphenyl)cyclohexane-1,3-dione
CID 52950803
4,4-dimethyl-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidine
CID 66229916
2,4,6,8-tetramethoxy-5-(2,4,6-trimethoxyphenyl)-5H-benzo[d][1,3]benzodioxocine
CID 70993959
(2R)-2-(2,4,6-trimethoxyphenyl)azetidine
CID 171197166
5-ethyl-5-(methoxymethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-dioxane
CID 148707532
(3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride
CID 171192526
(4S)-5,5-dimethyl-4-(2,4,6-trimethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187776

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-5-(2,4,6-trimethoxyphenyl)-1,3-dioxan-2-yl]methanol?
The IUPAC name of [2-(hydroxymethyl)-5-(2,4,6-trimethoxyphenyl)-1,3-dioxan-2-yl]methanol (CID 132605134) is [2-(hydroxymethyl)-5-(2,4,6-trimethoxyphenyl)-1,3-dioxan-2-yl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-5-(2,4,6-trimethoxyphenyl)-1,3-dioxan-2-yl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-5-(2,4,6-trimethoxyphenyl)-1,3-dioxan-2-yl]methanol is COc1cc(OC)c(C2COC(CO)(CO)OC2)c(OC)c1.
What is the InChIKey of [2-(hydroxymethyl)-5-(2,4,6-trimethoxyphenyl)-1,3-dioxan-2-yl]methanol?
The InChIKey is OOTXYHJAXBEJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O7/c1-18-11-4-12(19-2)14(13(5-11)20-3)10-6-21-15(8-16,9-17)22-7-10/h4-5,10,16-17H,6-9H2,1-3H3.
What are the key properties of [2-(hydroxymethyl)-5-(2,4,6-trimethoxyphenyl)-1,3-dioxan-2-yl]methanol?
[2-(hydroxymethyl)-5-(2,4,6-trimethoxyphenyl)-1,3-dioxan-2-yl]methanol has a molecular weight of 314.33 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-5-(2,4,6-trimethoxyphenyl)-1,3-dioxan-2-yl]methanol is sourced from PubChem (CID 132605134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).