2-[2,6-di(propan-2-yl)phenyl]-1-(2-phenylphenyl)ethanone

C26H28O — CID 176753550

IUPAC2-[2,6-di(propan-2-yl)phenyl]-1-(2-phenylphenyl)ethanone
SMILESCC(C)c1cccc(C(C)C)c1CC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C26H28O/c1-18(2)21-15-10-16-22(19(3)4)25(21)17-26(27)24-14-9-8-13-23(24)20-11-6-5-7-12-20/h5-16,18-19H,17H2,1-4H3
InChIKeyYRUPFGBSLIGVHW-UHFFFAOYSA-N
MW356.51 g/mol
LogP7.03
Rot. Bonds6

About 2-[2,6-di(propan-2-yl)phenyl]-1-(2-phenylphenyl)ethanone

2-[2,6-di(propan-2-yl)phenyl]-1-(2-phenylphenyl)ethanone (PubChem CID 176753550) has the molecular formula C26H28O and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-[2,6-di(propan-2-yl)phenyl]-1-(2-phenylphenyl)ethanone.

Molecular Properties

Compound Name2-[2,6-di(propan-2-yl)phenyl]-1-(2-phenylphenyl)ethanone
PubChem CID176753550
Molecular FormulaC26H28O
Molecular Weight356.51 g/mol
Exact Mass356.21
IUPAC Name2-[2,6-di(propan-2-yl)phenyl]-1-(2-phenylphenyl)ethanone
SMILESCC(C)c1cccc(C(C)C)c1CC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C26H28O/c1-18(2)21-15-10-16-22(19(3)4)25(21)17-26(27)24-14-9-8-13-23(24)20-11-6-5-7-12-20/h5-16,18-19H,17H2,1-4H3
InChIKeyYRUPFGBSLIGVHW-UHFFFAOYSA-N
XLogP7.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-oxo-4-(2-phenylphenyl)butanoic acid
CID 70461221
(E)-3-[2,6-di(propan-2-yl)anilino]-1-(2-phenylphenyl)prop-2-en-1-one
CID 177459724
2-[2,6-di(propan-2-yl)phenyl]acetyl chloride
CID 19362782
2-ethyl-3-propan-2-ylbenzoic acid
CID 89352889
ethane;1-phenyl-2-propan-2-ylbenzene
CID 161308506
1-(3-phenyl-2-propan-2-ylphenyl)ethanone
CID 139652419
1,2-diphenyl-3-propan-2-ylbenzene
CID 20568657
2,4-dioxo-4-(2-phenylphenyl)butanoic acid
CID 23623031
2-amino-4-methyl-6-oxo-6-(2-phenylphenyl)hexanoic acid
CID 23436479
1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
CID 67945637
[2-(2-methyl-3-phenylphenyl)-2-oxoethyl] acetate
CID 146007393
1-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]ethanone
CID 13297027

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-di(propan-2-yl)phenyl]-1-(2-phenylphenyl)ethanone?
The IUPAC name of 2-[2,6-di(propan-2-yl)phenyl]-1-(2-phenylphenyl)ethanone (CID 176753550) is 2-[2,6-di(propan-2-yl)phenyl]-1-(2-phenylphenyl)ethanone.
What is the SMILES notation for 2-[2,6-di(propan-2-yl)phenyl]-1-(2-phenylphenyl)ethanone?
The canonical SMILES for 2-[2,6-di(propan-2-yl)phenyl]-1-(2-phenylphenyl)ethanone is CC(C)c1cccc(C(C)C)c1CC(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of 2-[2,6-di(propan-2-yl)phenyl]-1-(2-phenylphenyl)ethanone?
The InChIKey is YRUPFGBSLIGVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O/c1-18(2)21-15-10-16-22(19(3)4)25(21)17-26(27)24-14-9-8-13-23(24)20-11-6-5-7-12-20/h5-16,18-19H,17H2,1-4H3.
What are the key properties of 2-[2,6-di(propan-2-yl)phenyl]-1-(2-phenylphenyl)ethanone?
2-[2,6-di(propan-2-yl)phenyl]-1-(2-phenylphenyl)ethanone has a molecular weight of 356.51 g/mol, XLogP of 7.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-di(propan-2-yl)phenyl]-1-(2-phenylphenyl)ethanone is sourced from PubChem (CID 176753550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).