4-[[5-ethyl-5-[[5-ethyl-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-2-yl]methyl]-2,6-dimethoxyphenol

C32H46O11 — CID 132990590

IUPAC4-[[5-ethyl-5-[[5-ethyl-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-2-yl]methyl]-2,6-dimethoxyphenol
SMILESCCC1(COCC2(CC)COC(Cc3cc(OC)c(O)c(OC)c3)OC2)COC(Cc2cc(OC)c(O)c(OC)c2)OC1
InChIInChI=1S/C32H46O11/c1-7-31(17-40-27(41-18-31)13-21-9-23(35-3)29(33)24(10-21)36-4)15-39-16-32(8-2)19-42-28(43-20-32)14-22-11-25(37-5)30(34)26(12-22)38-6/h9-12,27-28,33-34H,7-8,13-20H2,1-6H3
InChIKeySIVQRZMYAJKHTP-UHFFFAOYSA-N
MW606.71 g/mol
LogP4.47
Rot. Bonds14

About 4-[[5-ethyl-5-[[5-ethyl-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-2-yl]methyl]-2,6-dimethoxyphenol

4-[[5-ethyl-5-[[5-ethyl-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-2-yl]methyl]-2,6-dimethoxyphenol (PubChem CID 132990590) has the molecular formula C32H46O11 and a molecular weight of 606.71 g/mol. Its IUPAC name is 4-[[5-ethyl-5-[[5-ethyl-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-2-yl]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[5-ethyl-5-[[5-ethyl-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-2-yl]methyl]-2,6-dimethoxyphenol
PubChem CID132990590
Molecular FormulaC32H46O11
Molecular Weight606.71 g/mol
Exact Mass606.30
IUPAC Name4-[[5-ethyl-5-[[5-ethyl-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-2-yl]methyl]-2,6-dimethoxyphenol
SMILESCCC1(COCC2(CC)COC(Cc3cc(OC)c(O)c(OC)c3)OC2)COC(Cc2cc(OC)c(O)c(OC)c2)OC1
InChIInChI=1S/C32H46O11/c1-7-31(17-40-27(41-18-31)13-21-9-23(35-3)29(33)24(10-21)36-4)15-39-16-32(8-2)19-42-28(43-20-32)14-22-11-25(37-5)30(34)26(12-22)38-6/h9-12,27-28,33-34H,7-8,13-20H2,1-6H3
InChIKeySIVQRZMYAJKHTP-UHFFFAOYSA-N
XLogP4.47
TPSA123.53 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.71
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 4-[[5-ethyl-5-[[5-ethyl-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-2-yl]methyl]-2,6-dimethoxyphenol with MolForge

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl]-1,3-dioxolane
CID 24727770
5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 142730456
(3R,4R)-3,4-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one
CID 11633104
4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol
CID 162962638
4-(chloromethyl)-2,6-dimethoxyphenol
CID 86126298
2,6-dimethoxy-4-pentylphenol
CID 22625510
4-[[(3R,4R)-4-[(S)-hydroxy-(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-3-yl]methyl]-2,6-dimethoxyphenol
CID 162985330
4-[[(3S,4R)-4-[(R)-hydroxy-(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-3-yl]methyl]-2,6-dimethoxyphenol
CID 162985331
3-ethoxy-4-(4-hydroxy-3,5-dimethoxyphenyl)butan-2-one
CID 140767261
4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
CID 10066574
2-[(3,4,5-trimethoxyphenyl)methyl]oxirane
CID 12052944
2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol
CID 115673879

Frequently Asked Questions

What is the IUPAC name of 4-[[5-ethyl-5-[[5-ethyl-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-2-yl]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[5-ethyl-5-[[5-ethyl-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-2-yl]methyl]-2,6-dimethoxyphenol (CID 132990590) is 4-[[5-ethyl-5-[[5-ethyl-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-2-yl]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[5-ethyl-5-[[5-ethyl-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-2-yl]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[5-ethyl-5-[[5-ethyl-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-2-yl]methyl]-2,6-dimethoxyphenol is CCC1(COCC2(CC)COC(Cc3cc(OC)c(O)c(OC)c3)OC2)COC(Cc2cc(OC)c(O)c(OC)c2)OC1.
What is the InChIKey of 4-[[5-ethyl-5-[[5-ethyl-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-2-yl]methyl]-2,6-dimethoxyphenol?
The InChIKey is SIVQRZMYAJKHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46O11/c1-7-31(17-40-27(41-18-31)13-21-9-23(35-3)29(33)24(10-21)36-4)15-39-16-32(8-2)19-42-28(43-20-32)14-22-11-25(37-5)30(34)26(12-22)38-6/h9-12,27-28,33-34H,7-8,13-20H2,1-6H3.
What are the key properties of 4-[[5-ethyl-5-[[5-ethyl-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-2-yl]methyl]-2,6-dimethoxyphenol?
4-[[5-ethyl-5-[[5-ethyl-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-2-yl]methyl]-2,6-dimethoxyphenol has a molecular weight of 606.71 g/mol, XLogP of 4.47, 14 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-ethyl-5-[[5-ethyl-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-2-yl]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 132990590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).