1-(2,4-dimethylphenyl)-3,4,4-trimethylpentan-1-one

C16H24O — CID 55262245

IUPAC1-(2,4-dimethylphenyl)-3,4,4-trimethylpentan-1-one
SMILESCc1ccc(C(=O)CC(C)C(C)(C)C)c(C)c1
InChIInChI=1S/C16H24O/c1-11-7-8-14(12(2)9-11)15(17)10-13(3)16(4,5)6/h7-9,13H,10H2,1-6H3
InChIKeyOPFORBPBBJPOAD-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.56
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-3,4,4-trimethylpentan-1-one

1-(2,4-dimethylphenyl)-3,4,4-trimethylpentan-1-one (PubChem CID 55262245) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3,4,4-trimethylpentan-1-one.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3,4,4-trimethylpentan-1-one
PubChem CID55262245
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-(2,4-dimethylphenyl)-3,4,4-trimethylpentan-1-one
SMILESCc1ccc(C(=O)CC(C)C(C)(C)C)c(C)c1
InChIInChI=1S/C16H24O/c1-11-7-8-14(12(2)9-11)15(17)10-13(3)16(4,5)6/h7-9,13H,10H2,1-6H3
InChIKeyOPFORBPBBJPOAD-UHFFFAOYSA-N
XLogP4.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-3,4,4-trimethylpentan-1-one
CID 55262244
3-(4-aminophenyl)-1-(2,4-dimethylphenyl)butan-1-one
CID 116612673
N-tert-butyl-4-(2,4-dimethylphenyl)-4-oxobutanamide
CID 94273837
2-tert-butylsulfonyl-1-(2,4-dimethylphenyl)ethanone
CID 64642350
2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethanone
CID 64639475
3,4,4-trimethyl-1-(5-methyl-1-benzofuran-2-yl)pentan-1-one
CID 115808081
1-(2-hydroxy-4-methylphenyl)-3,5,5-trimethylhexan-1-one
CID 71365800
2-acetylsulfanyl-4-(2,4-dimethylphenyl)-4-oxobutanoic acid
CID 13476437
1-(2,4-dimethylphenyl)butane-1,3-dione
CID 19917258
1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone
CID 82119914
3-amino-1-(2,4-dimethylphenyl)-5-methoxypentan-1-one
CID 103967332
1-(2,4-dimethylphenyl)-2-(2-methylpropylsulfinyl)ethanone
CID 64639917

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3,4,4-trimethylpentan-1-one?
The IUPAC name of 1-(2,4-dimethylphenyl)-3,4,4-trimethylpentan-1-one (CID 55262245) is 1-(2,4-dimethylphenyl)-3,4,4-trimethylpentan-1-one.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3,4,4-trimethylpentan-1-one?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3,4,4-trimethylpentan-1-one is Cc1ccc(C(=O)CC(C)C(C)(C)C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3,4,4-trimethylpentan-1-one?
The InChIKey is OPFORBPBBJPOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-11-7-8-14(12(2)9-11)15(17)10-13(3)16(4,5)6/h7-9,13H,10H2,1-6H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3,4,4-trimethylpentan-1-one?
1-(2,4-dimethylphenyl)-3,4,4-trimethylpentan-1-one has a molecular weight of 232.37 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3,4,4-trimethylpentan-1-one is sourced from PubChem (CID 55262245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).