2-[[2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methoxymethyl]-5-methylphenyl]methyl]-4,6-dimethylphenol

C26H30O4 — CID 118528705

IUPAC2-[[2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methoxymethyl]-5-methylphenyl]methyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(COCc2cc(C)cc(Cc3cc(C)cc(C)c3O)c2O)c1
InChIInChI=1S/C26H30O4/c1-15-6-18(4)24(27)20(8-15)12-21-9-17(3)11-23(26(21)29)14-30-13-22-10-16(2)7-19(5)25(22)28/h6-11,27-29H,12-14H2,1-5H3
InChIKeyBRARYOFKRGOGSF-UHFFFAOYSA-N
MW406.52 g/mol
LogP5.65
Rot. Bonds6

About 2-[[2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methoxymethyl]-5-methylphenyl]methyl]-4,6-dimethylphenol

2-[[2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methoxymethyl]-5-methylphenyl]methyl]-4,6-dimethylphenol (PubChem CID 118528705) has the molecular formula C26H30O4 and a molecular weight of 406.52 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methoxymethyl]-5-methylphenyl]methyl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[[2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methoxymethyl]-5-methylphenyl]methyl]-4,6-dimethylphenol
PubChem CID118528705
Molecular FormulaC26H30O4
Molecular Weight406.52 g/mol
Exact Mass406.21
IUPAC Name2-[[2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methoxymethyl]-5-methylphenyl]methyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(COCc2cc(C)cc(Cc3cc(C)cc(C)c3O)c2O)c1
InChIInChI=1S/C26H30O4/c1-15-6-18(4)24(27)20(8-15)12-21-9-17(3)11-23(26(21)29)14-30-13-22-10-16(2)7-19(5)25(22)28/h6-11,27-29H,12-14H2,1-5H3
InChIKeyBRARYOFKRGOGSF-UHFFFAOYSA-N
XLogP5.65
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.52
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methoxymethyl]-5-methylphenyl]methyl]-4,6-dimethylphenol with MolForge

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Related Compounds

2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol
CID 58625699
2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 21282731
2,6-bis[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol
CID 21344476
2-[(2-hydroxy-5-methyl-3-propan-2-ylphenyl)methyl]-4,6-dimethylphenol
CID 71213924
2-(1,2-13C2)ethyl-4,6-dimethylphenol
CID 102175536
2-[(4-methoxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 20750468
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-dimethylphenol
CID 139625941
2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 134464799
2-[[3-ethyl-2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]-4,6-dimethylphenol
CID 59972171
carbanide;2-[[5-[[5-[[5-[[3-[(5-ethyl-2-hydroxy-3-methylphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-2-hydroxy-3-methylphenyl]methyl]-2-hydroxy-3-methylphenyl]methyl]-2-hydroxy-3-methylphenyl]methyl]-4,6-dimethylphenol;bis(titanium(2+))
CID 59071786
2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;ethane
CID 90702119
2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 20743757

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methoxymethyl]-5-methylphenyl]methyl]-4,6-dimethylphenol?
The IUPAC name of 2-[[2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methoxymethyl]-5-methylphenyl]methyl]-4,6-dimethylphenol (CID 118528705) is 2-[[2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methoxymethyl]-5-methylphenyl]methyl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[[2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methoxymethyl]-5-methylphenyl]methyl]-4,6-dimethylphenol?
The canonical SMILES for 2-[[2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methoxymethyl]-5-methylphenyl]methyl]-4,6-dimethylphenol is Cc1cc(C)c(O)c(COCc2cc(C)cc(Cc3cc(C)cc(C)c3O)c2O)c1.
What is the InChIKey of 2-[[2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methoxymethyl]-5-methylphenyl]methyl]-4,6-dimethylphenol?
The InChIKey is BRARYOFKRGOGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O4/c1-15-6-18(4)24(27)20(8-15)12-21-9-17(3)11-23(26(21)29)14-30-13-22-10-16(2)7-19(5)25(22)28/h6-11,27-29H,12-14H2,1-5H3.
What are the key properties of 2-[[2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methoxymethyl]-5-methylphenyl]methyl]-4,6-dimethylphenol?
2-[[2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methoxymethyl]-5-methylphenyl]methyl]-4,6-dimethylphenol has a molecular weight of 406.52 g/mol, XLogP of 5.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methoxymethyl]-5-methylphenyl]methyl]-4,6-dimethylphenol is sourced from PubChem (CID 118528705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).