3-methyl-1-(2,4,6-trimethylphenyl)hexan-1-one

C16H24O — CID 14871792

IUPAC3-methyl-1-(2,4,6-trimethylphenyl)hexan-1-one
SMILESCCCC(C)CC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H24O/c1-6-7-11(2)10-15(17)16-13(4)8-12(3)9-14(16)5/h8-9,11H,6-7,10H2,1-5H3
InChIKeyYHMARHUOZGFRGY-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.62
Rot. Bonds5

About 3-methyl-1-(2,4,6-trimethylphenyl)hexan-1-one

3-methyl-1-(2,4,6-trimethylphenyl)hexan-1-one (PubChem CID 14871792) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-methyl-1-(2,4,6-trimethylphenyl)hexan-1-one.

Molecular Properties

Compound Name3-methyl-1-(2,4,6-trimethylphenyl)hexan-1-one
PubChem CID14871792
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name3-methyl-1-(2,4,6-trimethylphenyl)hexan-1-one
SMILESCCCC(C)CC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H24O/c1-6-7-11(2)10-15(17)16-13(4)8-12(3)9-14(16)5/h8-9,11H,6-7,10H2,1-5H3
InChIKeyYHMARHUOZGFRGY-UHFFFAOYSA-N
XLogP4.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-methyl-1-(2,4,6-trimethylphenyl)hexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dimethylphenyl)-3-methylhexan-1-one
CID 114968692
2-[methyl(2-methylbutyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 43796188
1-(3,5-dibromophenyl)-3-methylhexan-1-one
CID 107976668
3-methyl-1-(3-methylthiophen-2-yl)hexan-1-one
CID 114968690
3,3-diphenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 3112974
2-(propan-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone
CID 82114243
3-methyl-1-(3,4,5-trifluorophenyl)hexan-1-one
CID 62620644
2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one
CID 43159904
2-(2,4,6-trimethylbenzoyl)pentanenitrile
CID 79405591
2-[ethyl(2-methylpropyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 43795912
(3S)-3-(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 2249230
1-(2,4-dibromophenyl)-3-methylhexan-1-one
CID 107944387

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,4,6-trimethylphenyl)hexan-1-one?
The IUPAC name of 3-methyl-1-(2,4,6-trimethylphenyl)hexan-1-one (CID 14871792) is 3-methyl-1-(2,4,6-trimethylphenyl)hexan-1-one.
What is the SMILES notation for 3-methyl-1-(2,4,6-trimethylphenyl)hexan-1-one?
The canonical SMILES for 3-methyl-1-(2,4,6-trimethylphenyl)hexan-1-one is CCCC(C)CC(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 3-methyl-1-(2,4,6-trimethylphenyl)hexan-1-one?
The InChIKey is YHMARHUOZGFRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-6-7-11(2)10-15(17)16-13(4)8-12(3)9-14(16)5/h8-9,11H,6-7,10H2,1-5H3.
What are the key properties of 3-methyl-1-(2,4,6-trimethylphenyl)hexan-1-one?
3-methyl-1-(2,4,6-trimethylphenyl)hexan-1-one has a molecular weight of 232.37 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,4,6-trimethylphenyl)hexan-1-one is sourced from PubChem (CID 14871792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).