2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one

C15H22O — CID 114975790

IUPAC2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one
SMILESCc1cc(C)c(C(=O)C(C)C(C)C)cc1C
InChIInChI=1S/C15H22O/c1-9(2)13(6)15(16)14-8-11(4)10(3)7-12(14)5/h7-9,13H,1-6H3
InChIKeyRZNOZANOJHRXGJ-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.09
Rot. Bonds3

About 2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one

2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one (PubChem CID 114975790) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one.

Molecular Properties

Compound Name2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one
PubChem CID114975790
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one
SMILESCc1cc(C)c(C(=O)C(C)C(C)C)cc1C
InChIInChI=1S/C15H22O/c1-9(2)13(6)15(16)14-8-11(4)10(3)7-12(14)5/h7-9,13H,1-6H3
InChIKeyRZNOZANOJHRXGJ-UHFFFAOYSA-N
XLogP4.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3-oxo-3-(2,4,5-trimethylphenyl)propanoic acid
CID 116918219
2-(hydroxymethyl)-3-methyl-1-(2,4,5-trimethylphenyl)butan-1-one
CID 116923314
2-methoxy-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one
CID 116709656
2-[methyl(3-methylbutan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43796801
1-(2,5-dibromo-4-methylphenyl)-2,3-dimethylbutan-1-one
CID 81474226
2,4,5-trimethyl-N-(3-methylbutan-2-yl)benzamide
CID 133250246
2-methoxy-1-(2,4,5-trimethylphenyl)butan-1-one
CID 116707254
2-[methyl(propan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43219755
2-methoxy-1-(2,4,5-trimethylphenyl)pentan-1-one
CID 116708167
1-(2-bromo-5-methylphenyl)-2,3-dimethylbutan-1-one
CID 130674056
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)propan-1-one
CID 51141770
3-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one
CID 116612404

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one?
The IUPAC name of 2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one (CID 114975790) is 2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one.
What is the SMILES notation for 2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one?
The canonical SMILES for 2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one is Cc1cc(C)c(C(=O)C(C)C(C)C)cc1C.
What is the InChIKey of 2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one?
The InChIKey is RZNOZANOJHRXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-9(2)13(6)15(16)14-8-11(4)10(3)7-12(14)5/h7-9,13H,1-6H3.
What are the key properties of 2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one?
2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one has a molecular weight of 218.34 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one is sourced from PubChem (CID 114975790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).