1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-1-one

C13H18O2 — CID 82492242

IUPAC1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-1-one
SMILESCOc1cc(C)cc(C)c1C(=O)C(C)C
InChIInChI=1S/C13H18O2/c1-8(2)13(14)12-10(4)6-9(3)7-11(12)15-5/h6-8H,1-5H3
InChIKeyAOEJIXPJVJPBJP-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.15
Rot. Bonds3

About 1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-1-one

1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-1-one (PubChem CID 82492242) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-1-one
PubChem CID82492242
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-1-one
SMILESCOc1cc(C)cc(C)c1C(=O)C(C)C
InChIInChI=1S/C13H18O2/c1-8(2)13(14)12-10(4)6-9(3)7-11(12)15-5/h6-8H,1-5H3
InChIKeyAOEJIXPJVJPBJP-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2'-Methoxyacetophenone
CID 68481
3-Methylchromone
CID 66569
4'-Isopropylflavone
CID 2802462
1-(6-Methoxy-2-naphthalenyl)-1-propanone
CID 75913
2',5'-Dimethoxyacetophenone
CID 70991
5-Methoxy-2-methylnaphthalene-1,4-dione
CID 185478
1-Methoxy-9,10-anthracenedione
CID 6707
5-Methoxytetralone
CID 36620
2,5-Dimethoxypropiophenone
CID 79865
2-Methoxybenzophenone
CID 75702
2-Methoxy-1-naphthaldehyde
CID 79352
2-Methoxy-6-methylbenzoic acid
CID 273170

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-1-one (CID 82492242) is 1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-1-one is COc1cc(C)cc(C)c1C(=O)C(C)C.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-1-one?
The InChIKey is AOEJIXPJVJPBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-8(2)13(14)12-10(4)6-9(3)7-11(12)15-5/h6-8H,1-5H3.
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-1-one?
1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-1-one has a molecular weight of 206.28 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 82492242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).