[3-(hydroxymethyl)-5-[[4-(hydroxymethyl)-3,5-dimethoxyphenyl]methyl]-2-methoxyphenyl]methanol

C19H24O6 — CID 71104274

IUPAC[3-(hydroxymethyl)-5-[[4-(hydroxymethyl)-3,5-dimethoxyphenyl]methyl]-2-methoxyphenyl]methanol
SMILESCOc1cc(Cc2cc(CO)c(OC)c(CO)c2)cc(OC)c1CO
InChIInChI=1S/C19H24O6/c1-23-17-7-13(8-18(24-2)16(17)11-22)4-12-5-14(9-20)19(25-3)15(6-12)10-21/h5-8,20-22H,4,9-11H2,1-3H3
InChIKeyUINGLPKUPGOZGT-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.78
Rot. Bonds8

About [3-(hydroxymethyl)-5-[[4-(hydroxymethyl)-3,5-dimethoxyphenyl]methyl]-2-methoxyphenyl]methanol

[3-(hydroxymethyl)-5-[[4-(hydroxymethyl)-3,5-dimethoxyphenyl]methyl]-2-methoxyphenyl]methanol (PubChem CID 71104274) has the molecular formula C19H24O6 and a molecular weight of 348.40 g/mol. Its IUPAC name is [3-(hydroxymethyl)-5-[[4-(hydroxymethyl)-3,5-dimethoxyphenyl]methyl]-2-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-5-[[4-(hydroxymethyl)-3,5-dimethoxyphenyl]methyl]-2-methoxyphenyl]methanol
PubChem CID71104274
Molecular FormulaC19H24O6
Molecular Weight348.40 g/mol
Exact Mass348.16
IUPAC Name[3-(hydroxymethyl)-5-[[4-(hydroxymethyl)-3,5-dimethoxyphenyl]methyl]-2-methoxyphenyl]methanol
SMILESCOc1cc(Cc2cc(CO)c(OC)c(CO)c2)cc(OC)c1CO
InChIInChI=1S/C19H24O6/c1-23-17-7-13(8-18(24-2)16(17)11-22)4-12-5-14(9-20)19(25-3)15(6-12)10-21/h5-8,20-22H,4,9-11H2,1-3H3
InChIKeyUINGLPKUPGOZGT-UHFFFAOYSA-N
XLogP1.78
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-5-[[4-(hydroxymethyl)-3,5-dimethoxyphenyl]methyl]-2-methoxyphenyl]methanol?
The IUPAC name of [3-(hydroxymethyl)-5-[[4-(hydroxymethyl)-3,5-dimethoxyphenyl]methyl]-2-methoxyphenyl]methanol (CID 71104274) is [3-(hydroxymethyl)-5-[[4-(hydroxymethyl)-3,5-dimethoxyphenyl]methyl]-2-methoxyphenyl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-5-[[4-(hydroxymethyl)-3,5-dimethoxyphenyl]methyl]-2-methoxyphenyl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-5-[[4-(hydroxymethyl)-3,5-dimethoxyphenyl]methyl]-2-methoxyphenyl]methanol is COc1cc(Cc2cc(CO)c(OC)c(CO)c2)cc(OC)c1CO.
What is the InChIKey of [3-(hydroxymethyl)-5-[[4-(hydroxymethyl)-3,5-dimethoxyphenyl]methyl]-2-methoxyphenyl]methanol?
The InChIKey is UINGLPKUPGOZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O6/c1-23-17-7-13(8-18(24-2)16(17)11-22)4-12-5-14(9-20)19(25-3)15(6-12)10-21/h5-8,20-22H,4,9-11H2,1-3H3.
What are the key properties of [3-(hydroxymethyl)-5-[[4-(hydroxymethyl)-3,5-dimethoxyphenyl]methyl]-2-methoxyphenyl]methanol?
[3-(hydroxymethyl)-5-[[4-(hydroxymethyl)-3,5-dimethoxyphenyl]methyl]-2-methoxyphenyl]methanol has a molecular weight of 348.40 g/mol, XLogP of 1.78, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-5-[[4-(hydroxymethyl)-3,5-dimethoxyphenyl]methyl]-2-methoxyphenyl]methanol is sourced from PubChem (CID 71104274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).