2,2-dibenzyl-1-phenyl-3-(2,3,5,6-tetramethylphenyl)propan-1-one

C33H34O — CID 590126

IUPAC2,2-dibenzyl-1-phenyl-3-(2,3,5,6-tetramethylphenyl)propan-1-one
SMILESCc1cc(C)c(C)c(CC(Cc2ccccc2)(Cc2ccccc2)C(=O)c2ccccc2)c1C
InChIInChI=1S/C33H34O/c1-24-20-25(2)27(4)31(26(24)3)23-33(21-28-14-8-5-9-15-28,22-29-16-10-6-11-17-29)32(34)30-18-12-7-13-19-30/h5-20H,21-23H2,1-4H3
InChIKeyXMKFUUVFGPJRCP-UHFFFAOYSA-N
MW446.63 g/mol
LogP7.82
Rot. Bonds8

About 2,2-dibenzyl-1-phenyl-3-(2,3,5,6-tetramethylphenyl)propan-1-one

2,2-dibenzyl-1-phenyl-3-(2,3,5,6-tetramethylphenyl)propan-1-one (PubChem CID 590126) has the molecular formula C33H34O and a molecular weight of 446.63 g/mol. Its IUPAC name is 2,2-dibenzyl-1-phenyl-3-(2,3,5,6-tetramethylphenyl)propan-1-one.

Molecular Properties

Compound Name2,2-dibenzyl-1-phenyl-3-(2,3,5,6-tetramethylphenyl)propan-1-one
PubChem CID590126
Molecular FormulaC33H34O
Molecular Weight446.63 g/mol
Exact Mass446.26
IUPAC Name2,2-dibenzyl-1-phenyl-3-(2,3,5,6-tetramethylphenyl)propan-1-one
SMILESCc1cc(C)c(C)c(CC(Cc2ccccc2)(Cc2ccccc2)C(=O)c2ccccc2)c1C
InChIInChI=1S/C33H34O/c1-24-20-25(2)27(4)31(26(24)3)23-33(21-28-14-8-5-9-15-28,22-29-16-10-6-11-17-29)32(34)30-18-12-7-13-19-30/h5-20H,21-23H2,1-4H3
InChIKeyXMKFUUVFGPJRCP-UHFFFAOYSA-N
XLogP7.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.63
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,3,5,6-tetramethylphenyl)methyl]benzoic acid
CID 116927130
2,2-dimethyl-1,3-diphenylpropan-1-one
CID 12892486
2-benzyl-2-(dimethylamino)-1,3-diphenylpropan-1-one
CID 19049414
2-(2-methylpropoxy)-1,2,3-triphenylpropan-1-one
CID 67441475
2-butoxy-1,2,3-triphenylpropan-1-one
CID 154411590
2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278
2,2-difluoro-3-(2-methylphenyl)-1-phenylpropan-1-one
CID 132547565
2-methyl-1-phenyl-2-(2,4,6-trimethylphenyl)propan-1-one
CID 15629610
1-[3-(chloromethyl)phenyl]-2-hydroxy-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one;methanol;trichloroalumane;hydrofluoride
CID 157062858
ethane;2,2,2-tribromo-1-phenylethanone
CID 159508588
3-(2,2-dimethylpropyl)-1,2,4,5-tetramethylbenzene
CID 590260
3-[(2,4,5-trimethylanilino)methyl]benzoic acid
CID 115221774

Frequently Asked Questions

What is the IUPAC name of 2,2-dibenzyl-1-phenyl-3-(2,3,5,6-tetramethylphenyl)propan-1-one?
The IUPAC name of 2,2-dibenzyl-1-phenyl-3-(2,3,5,6-tetramethylphenyl)propan-1-one (CID 590126) is 2,2-dibenzyl-1-phenyl-3-(2,3,5,6-tetramethylphenyl)propan-1-one.
What is the SMILES notation for 2,2-dibenzyl-1-phenyl-3-(2,3,5,6-tetramethylphenyl)propan-1-one?
The canonical SMILES for 2,2-dibenzyl-1-phenyl-3-(2,3,5,6-tetramethylphenyl)propan-1-one is Cc1cc(C)c(C)c(CC(Cc2ccccc2)(Cc2ccccc2)C(=O)c2ccccc2)c1C.
What is the InChIKey of 2,2-dibenzyl-1-phenyl-3-(2,3,5,6-tetramethylphenyl)propan-1-one?
The InChIKey is XMKFUUVFGPJRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34O/c1-24-20-25(2)27(4)31(26(24)3)23-33(21-28-14-8-5-9-15-28,22-29-16-10-6-11-17-29)32(34)30-18-12-7-13-19-30/h5-20H,21-23H2,1-4H3.
What are the key properties of 2,2-dibenzyl-1-phenyl-3-(2,3,5,6-tetramethylphenyl)propan-1-one?
2,2-dibenzyl-1-phenyl-3-(2,3,5,6-tetramethylphenyl)propan-1-one has a molecular weight of 446.63 g/mol, XLogP of 7.82, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibenzyl-1-phenyl-3-(2,3,5,6-tetramethylphenyl)propan-1-one is sourced from PubChem (CID 590126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).