2,4,6-tris(2-phenylpropan-2-yl)phenol

C33H36O — CID 634812

IUPAC2,4,6-tris(2-phenylpropan-2-yl)phenol
SMILESCC(C)(c1ccccc1)c1cc(C(C)(C)c2ccccc2)c(O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C33H36O/c1-31(2,24-16-10-7-11-17-24)27-22-28(32(3,4)25-18-12-8-13-19-25)30(34)29(23-27)33(5,6)26-20-14-9-15-21-26/h7-23,34H,1-6H3
InChIKeyCEHYZIXIKLSACQ-UHFFFAOYSA-N
MW448.65 g/mol
LogP8.37
Rot. Bonds6

About 2,4,6-tris(2-phenylpropan-2-yl)phenol

2,4,6-tris(2-phenylpropan-2-yl)phenol (PubChem CID 634812) has the molecular formula C33H36O and a molecular weight of 448.65 g/mol. Its IUPAC name is 2,4,6-tris(2-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Name2,4,6-tris(2-phenylpropan-2-yl)phenol
PubChem CID634812
Molecular FormulaC33H36O
Molecular Weight448.65 g/mol
Exact Mass448.28
IUPAC Name2,4,6-tris(2-phenylpropan-2-yl)phenol
SMILESCC(C)(c1ccccc1)c1cc(C(C)(C)c2ccccc2)c(O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C33H36O/c1-31(2,24-16-10-7-11-17-24)27-22-28(32(3,4)25-18-12-8-13-19-25)30(34)29(23-27)33(5,6)26-20-14-9-15-21-26/h7-23,34H,1-6H3
InChIKeyCEHYZIXIKLSACQ-UHFFFAOYSA-N
XLogP8.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.65
LogP ≤ 58.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bisphenol A
CID 6623
2,6-Di-tert-butyl-4-methylphenol
CID 31404
Magnolol
CID 72300
2,4-Di-tert-butylphenol
CID 7311
Bisphenol B
CID 66166
4-Cumylphenol
CID 11742
Honokiol
CID 72303
2,2'-Methylenebis(4-ethyl-6-tert-butylphenol)
CID 6928
2,2'-Methylenebis(4-methyl-6-tert-butylphenol)
CID 8398
1-Hydroxypyrene
CID 21387
Bisphenol C
CID 6620
2-tert-Butyl-4-methylphenol
CID 17004

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2-phenylpropan-2-yl)phenol?
The IUPAC name of 2,4,6-tris(2-phenylpropan-2-yl)phenol (CID 634812) is 2,4,6-tris(2-phenylpropan-2-yl)phenol.
What is the SMILES notation for 2,4,6-tris(2-phenylpropan-2-yl)phenol?
The canonical SMILES for 2,4,6-tris(2-phenylpropan-2-yl)phenol is CC(C)(c1ccccc1)c1cc(C(C)(C)c2ccccc2)c(O)c(C(C)(C)c2ccccc2)c1.
What is the InChIKey of 2,4,6-tris(2-phenylpropan-2-yl)phenol?
The InChIKey is CEHYZIXIKLSACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36O/c1-31(2,24-16-10-7-11-17-24)27-22-28(32(3,4)25-18-12-8-13-19-25)30(34)29(23-27)33(5,6)26-20-14-9-15-21-26/h7-23,34H,1-6H3.
What are the key properties of 2,4,6-tris(2-phenylpropan-2-yl)phenol?
2,4,6-tris(2-phenylpropan-2-yl)phenol has a molecular weight of 448.65 g/mol, XLogP of 8.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(2-phenylpropan-2-yl)phenol is sourced from PubChem (CID 634812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).