2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one

C14H20O — CID 43159904

IUPAC2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one
SMILESCCC(C)C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H20O/c1-6-10(3)14(15)13-11(4)7-9(2)8-12(13)5/h7-8,10H,6H2,1-5H3
InChIKeyOWZKFSAMEBHWAQ-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.84
Rot. Bonds3

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

2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one (PubChem CID 43159904) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one
PubChem CID43159904
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one
SMILESCCC(C)C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H20O/c1-6-10(3)14(15)13-11(4)7-9(2)8-12(13)5/h7-8,10H,6H2,1-5H3
InChIKeyOWZKFSAMEBHWAQ-UHFFFAOYSA-N
XLogP3.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-one
CID 174440509
(2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one
CID 868051
2-[1,3-dioxo-1,3-bis(2,4,6-trimethylphenyl)propan-2-yl]oxy-1,3-bis(2,4,6-trimethylphenyl)propane-1,3-dione
CID 141040043
3-amino-2-hydroxy-1-(2,4,6-trimethylphenyl)propan-1-one
CID 116826580
1,2-bis(2,4,6-trimethylphenyl)propan-1-one
CID 14636852
2,2-difluoro-1-(2,4,6-trimethylphenyl)ethanone
CID 103513549
3-amino-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
CID 106883011
3-[ethyl-(2,4,6-trimethylbenzoyl)amino]-2-methylpropanoic acid
CID 62827542
2-phosphoroso-1,3-bis(2,4,6-trimethylphenyl)propane-1,3-dione
CID 22735025
2-(2,4,6-trimethylbenzoyl)pentanenitrile
CID 79405591
(4-butan-2-ylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337814
2,4-dichloro-1-(2,4,6-trimethylphenyl)butan-1-one
CID 82121115

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one?
The IUPAC name of 2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one (CID 43159904) is 2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one.
What is the SMILES notation for 2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one?
The canonical SMILES for 2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one is CCC(C)C(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one?
The InChIKey is OWZKFSAMEBHWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-6-10(3)14(15)13-11(4)7-9(2)8-12(13)5/h7-8,10H,6H2,1-5H3.
What are the key properties of 2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one?
2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one has a molecular weight of 204.31 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one is sourced from PubChem (CID 43159904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).