2-methoxy-1-(2,4,6-trimethylphenyl)ethanone

C12H16O2 — CID 15502799

IUPAC2-methoxy-1-(2,4,6-trimethylphenyl)ethanone
SMILESCOCC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C12H16O2/c1-8-5-9(2)12(10(3)6-8)11(13)7-14-4/h5-6H,7H2,1-4H3
InChIKeyBPCKAYGFVGQERV-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.44
Rot. Bonds3

About 2-methoxy-1-(2,4,6-trimethylphenyl)ethanone

2-methoxy-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 15502799) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-methoxy-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID15502799
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-methoxy-1-(2,4,6-trimethylphenyl)ethanone
SMILESCOCC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C12H16O2/c1-8-5-9(2)12(10(3)6-8)11(13)7-14-4/h5-6H,7H2,1-4H3
InChIKeyBPCKAYGFVGQERV-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone
CID 106880740
2-prop-2-enoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 62029854
2-(2,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43411877
2-(3,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43412302
2-(2-ethylbutoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 114208464
2-(2-methoxyethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 64644353
2-phenylphosphanyloxy-1-(2,4,6-trimethylphenyl)ethanone
CID 118112452
1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 106681968
1-(2,4,6-trimethylphenyl)but-3-yn-1-one
CID 114962026
2-(2-aminophenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 82092903
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013626
4-oxo-4-(2,4,6-trimethylphenyl)butanamide
CID 82079539

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-methoxy-1-(2,4,6-trimethylphenyl)ethanone (CID 15502799) is 2-methoxy-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-methoxy-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-methoxy-1-(2,4,6-trimethylphenyl)ethanone is COCC(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-methoxy-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is BPCKAYGFVGQERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8-5-9(2)12(10(3)6-8)11(13)7-14-4/h5-6H,7H2,1-4H3.
What are the key properties of 2-methoxy-1-(2,4,6-trimethylphenyl)ethanone?
2-methoxy-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 192.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 15502799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).