4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one

C19H22O — CID 102313835

IUPAC4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one
SMILESCC(=O)CC(c1ccccc1)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H22O/c1-13-10-14(2)19(15(3)11-13)18(12-16(4)20)17-8-6-5-7-9-17/h5-11,18H,12H2,1-4H3
InChIKeyZKBVQKBIZIQYNT-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.72
Rot. Bonds4

About 4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one

4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one (PubChem CID 102313835) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one.

Molecular Properties

Compound Name4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one
PubChem CID102313835
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one
SMILESCC(=O)CC(c1ccccc1)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H22O/c1-13-10-14(2)19(15(3)11-13)18(12-16(4)20)17-8-6-5-7-9-17/h5-11,18H,12H2,1-4H3
InChIKeyZKBVQKBIZIQYNT-UHFFFAOYSA-N
XLogP4.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-diphenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 3112974
2-phenyl-2-(2,4,6-trimethylphenyl)acetate
CID 78425392
(4R)-4-(2-chloro-6-hydroxyphenyl)-4-phenylbutan-2-one
CID 122398641
(3S)-3-(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 2249230
(4R)-4-(2-methyl-1H-indol-3-yl)-4-phenylbutan-2-one
CID 101252963
N,N-dimethyl-2-phenyl-2-(2,4,6-trimethylphenyl)acetamide
CID 15050087
2-[(1S)-2-hydroxy-1-phenylethyl]-3,5-dimethylphenol
CID 23628862
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
(4S)-4-bromo-4-phenylbutan-2-one
CID 155045363
4-oxo-2-(2,4,6-trimethylphenyl)pentanenitrile
CID 83704521
4-phenyl-4-phosphanylbutan-2-one
CID 175348302
3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82139246

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one?
The IUPAC name of 4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one (CID 102313835) is 4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one.
What is the SMILES notation for 4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one?
The canonical SMILES for 4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one is CC(=O)CC(c1ccccc1)c1c(C)cc(C)cc1C.
What is the InChIKey of 4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one?
The InChIKey is ZKBVQKBIZIQYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-13-10-14(2)19(15(3)11-13)18(12-16(4)20)17-8-6-5-7-9-17/h5-11,18H,12H2,1-4H3.
What are the key properties of 4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one?
4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one has a molecular weight of 266.38 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one is sourced from PubChem (CID 102313835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).