2-[4-[[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]methyl]phenyl]propan-2-ol

C25H36O4 — CID 66722056

IUPAC2-[4-[[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]methyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(Cc2c(C(C)(C)O)cc(C(C)(C)O)cc2C(C)(C)O)cc1
InChIInChI=1S/C25H36O4/c1-22(2,26)17-11-9-16(10-12-17)13-19-20(24(5,6)28)14-18(23(3,4)27)15-21(19)25(7,8)29/h9-12,14-15,26-29H,13H2,1-8H3
InChIKeyYYQJMHGUNZYDDL-UHFFFAOYSA-N
MW400.56 g/mol
LogP4.19
Rot. Bonds6

About 2-[4-[[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]methyl]phenyl]propan-2-ol

2-[4-[[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]methyl]phenyl]propan-2-ol (PubChem CID 66722056) has the molecular formula C25H36O4 and a molecular weight of 400.56 g/mol. Its IUPAC name is 2-[4-[[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]methyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]methyl]phenyl]propan-2-ol
PubChem CID66722056
Molecular FormulaC25H36O4
Molecular Weight400.56 g/mol
Exact Mass400.26
IUPAC Name2-[4-[[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]methyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(Cc2c(C(C)(C)O)cc(C(C)(C)O)cc2C(C)(C)O)cc1
InChIInChI=1S/C25H36O4/c1-22(2,26)17-11-9-16(10-12-17)13-19-20(24(5,6)28)14-18(23(3,4)27)15-21(19)25(7,8)29/h9-12,14-15,26-29H,13H2,1-8H3
InChIKeyYYQJMHGUNZYDDL-UHFFFAOYSA-N
XLogP4.19
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.56
LogP ≤ 54.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]methyl]phenyl]propan-2-ol with MolForge

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Related Compounds

2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]propan-2-ol;2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 67743225
2-[4-(pyridin-4-ylmethyl)phenyl]propan-2-ol
CID 90901602
2-[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]acetaldehyde
CID 89124194
2-[4-[4-[4-(2-hydroxypropan-2-yl)phenyl]butyl]phenyl]propan-2-ol
CID 129085386
2-[4-[2,4,6-tris(2-hydroxypropan-2-yl)phenoxy]phenyl]propan-2-ol
CID 66722022
2-[4-[2-(methylamino)propan-2-yl]phenyl]propan-2-ol
CID 71218460
2-[3-ethyl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 146269671
2-[3,5-bis(2-hydroxypropan-2-yl)-4-[2,4,6-tris(2-hydroxypropan-2-yl)phenoxy]phenyl]propan-2-ol
CID 66721933
2-[4-(ethoxymethyl)phenyl]propan-2-ol
CID 129179722
4-tert-butyl-2-(2-hydroxypropan-2-yl)phenol
CID 70581973
2,4-ditert-butyl-6-[(4-tert-butylphenyl)methyl]phenol
CID 11792333
2-[3-(2-hydroxypropan-2-yl)-5-methylphenyl]propan-2-ol
CID 59095256

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]methyl]phenyl]propan-2-ol?
The IUPAC name of 2-[4-[[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]methyl]phenyl]propan-2-ol (CID 66722056) is 2-[4-[[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]methyl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]methyl]phenyl]propan-2-ol?
The canonical SMILES for 2-[4-[[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]methyl]phenyl]propan-2-ol is CC(C)(O)c1ccc(Cc2c(C(C)(C)O)cc(C(C)(C)O)cc2C(C)(C)O)cc1.
What is the InChIKey of 2-[4-[[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]methyl]phenyl]propan-2-ol?
The InChIKey is YYQJMHGUNZYDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O4/c1-22(2,26)17-11-9-16(10-12-17)13-19-20(24(5,6)28)14-18(23(3,4)27)15-21(19)25(7,8)29/h9-12,14-15,26-29H,13H2,1-8H3.
What are the key properties of 2-[4-[[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]methyl]phenyl]propan-2-ol?
2-[4-[[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]methyl]phenyl]propan-2-ol has a molecular weight of 400.56 g/mol, XLogP of 4.19, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]methyl]phenyl]propan-2-ol is sourced from PubChem (CID 66722056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).