2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;4-[2-[4-hydroxy-3-[[2-hydroxy-5-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-3-methylphenyl]methyl]-5-methylphenyl]propan-2-yl]-2,6-dimethylphenol

C75H88O8 — CID 91361642

About 2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;4-[2-[4-hydroxy-3-[[2-hydroxy-5-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-3-methylphenyl]methyl]-5-methylphenyl]propan-2-yl]-2,6-dimethylphenol

2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;4-[2-[4-hydroxy-3-[[2-hydroxy-5-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-3-methylphenyl]methyl]-5-methylphenyl]propan-2-yl]-2,6-dimethylphenol (PubChem CID 91361642) has the molecular formula C75H88O8 and a molecular weight of 1117.52 g/mol. Its IUPAC name is 2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;4-[2-[4-hydroxy-3-[[2-hydroxy-5-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-3-methylphenyl]methyl]-5-methylphenyl]propan-2-yl]-2,6-dimethylphenol.

Molecular Properties

• Compound Name: 2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;4-[2-[4-hydroxy-3-[[2-hydroxy-5-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-3-methylphenyl]methyl]-5-methylphenyl]propan-2-yl]-2,6-dimethylphenol
• PubChem CID: 91361642
• Molecular Formula: C75H88O8
• Molecular Weight: 1117.52 g/mol
• Exact Mass: 1116.65
• IUPAC Name: 2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;4-[2-[4-hydroxy-3-[[2-hydroxy-5-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-3-methylphenyl]methyl]-5-methylphenyl]propan-2-yl]-2,6-dimethylphenol
• SMILES: Cc1cc(C(C)(C)c2cc(C)c(O)c(Cc3cc(C(C)(C)c4cc(C)c(O)c(C)c4)cc(C)c3O)c2)cc(C)c1O.Cc1cc(C2(c3cc(C)c(O)c(C)c3)CCC(c3cc(C)c(O)c(C)c3)(c3cc(C)c(O)c(C)c3)CC2)cc(C)c1O
• InChI: InChI=1S/C38H44O4.C37H44O4/c1-21-13-29(14-22(2)33(21)39)37(30-15-23(3)34(40)24(4)16-30)9-11-38(12-10-37,31-17-25(5)35(41)26(6)18-31)32-19-27(7)36(42)28(8)20-32;1-20-11-28(12-21(2)32(20)38)36(7,8)30-15-24(5)34(40)26(18-30)17-27-19-31(16-25(6)35(27)41)37(9,10)29-13-22(3)33(39)23(4)14-29/h13-20,39-42H,9-12H2,1-8H3;11-16,18-19,38-41H,17H2,1-10H3
• InChIKey: QFOXGWAUIMIHID-UHFFFAOYSA-N
• XLogP: 17.42
• TPSA: 161.84 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1117.52
LogP ≤ 5	17.42
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;4-[2-[4-hydroxy-3-[[2-hydroxy-5-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-3-methylphenyl]methyl]-5-methylphenyl]propan-2-yl]-2,6-dimethylphenol?

The IUPAC name of 2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;4-[2-[4-hydroxy-3-[[2-hydroxy-5-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-3-methylphenyl]methyl]-5-methylphenyl]propan-2-yl]-2,6-dimethylphenol (CID 91361642) is 2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;4-[2-[4-hydroxy-3-[[2-hydroxy-5-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-3-methylphenyl]methyl]-5-methylphenyl]propan-2-yl]-2,6-dimethylphenol.

What is the SMILES notation for 2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;4-[2-[4-hydroxy-3-[[2-hydroxy-5-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-3-methylphenyl]methyl]-5-methylphenyl]propan-2-yl]-2,6-dimethylphenol?

The canonical SMILES for 2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;4-[2-[4-hydroxy-3-[[2-hydroxy-5-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-3-methylphenyl]methyl]-5-methylphenyl]propan-2-yl]-2,6-dimethylphenol is Cc1cc(C(C)(C)c2cc(C)c(O)c(Cc3cc(C(C)(C)c4cc(C)c(O)c(C)c4)cc(C)c3O)c2)cc(C)c1O.Cc1cc(C2(c3cc(C)c(O)c(C)c3)CCC(c3cc(C)c(O)c(C)c3)(c3cc(C)c(O)c(C)c3)CC2)cc(C)c1O.

What is the InChIKey of 2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;4-[2-[4-hydroxy-3-[[2-hydroxy-5-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-3-methylphenyl]methyl]-5-methylphenyl]propan-2-yl]-2,6-dimethylphenol?

The InChIKey is QFOXGWAUIMIHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44O4.C37H44O4/c1-21-13-29(14-22(2)33(21)39)37(30-15-23(3)34(40)24(4)16-30)9-11-38(12-10-37,31-17-25(5)35(41)26(6)18-31)32-19-27(7)36(42)28(8)20-32;1-20-11-28(12-21(2)32(20)38)36(7,8)30-15-24(5)34(40)26(18-30)17-27-19-31(16-25(6)35(27)41)37(9,10)29-13-22(3)33(39)23(4)14-29/h13-20,39-42H,9-12H2,1-8H3;11-16,18-19,38-41H,17H2,1-10H3.

What are the key properties of 2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;4-[2-[4-hydroxy-3-[[2-hydroxy-5-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-3-methylphenyl]methyl]-5-methylphenyl]propan-2-yl]-2,6-dimethylphenol?

2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;4-[2-[4-hydroxy-3-[[2-hydroxy-5-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-3-methylphenyl]methyl]-5-methylphenyl]propan-2-yl]-2,6-dimethylphenol has a molecular weight of 1117.52 g/mol, XLogP of 17.42, 10 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;4-[2-[4-hydroxy-3-[[2-hydroxy-5-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-3-methylphenyl]methyl]-5-methylphenyl]propan-2-yl]-2,6-dimethylphenol is sourced from PubChem (CID 91361642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).