1-(2,6-dimethylphenyl)-1-methoxypropan-2-one

C12H16O2 — CID 83224357

IUPAC1-(2,6-dimethylphenyl)-1-methoxypropan-2-one
SMILESCOC(C(C)=O)c1c(C)cccc1C
InChIInChI=1S/C12H16O2/c1-8-6-5-7-9(2)11(8)12(14-4)10(3)13/h5-7,12H,1-4H3
InChIKeyRETJDHVLAZBXKC-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.58
Rot. Bonds3

About 1-(2,6-dimethylphenyl)-1-methoxypropan-2-one

1-(2,6-dimethylphenyl)-1-methoxypropan-2-one (PubChem CID 83224357) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-1-methoxypropan-2-one.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-1-methoxypropan-2-one
PubChem CID83224357
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-(2,6-dimethylphenyl)-1-methoxypropan-2-one
SMILESCOC(C(C)=O)c1c(C)cccc1C
InChIInChI=1S/C12H16O2/c1-8-6-5-7-9(2)11(8)12(14-4)10(3)13/h5-7,12H,1-4H3
InChIKeyRETJDHVLAZBXKC-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-2-[[2-(2,6-dimethylphenyl)-2-methoxyacetyl]amino]propanoate
CID 70465858
1-chloro-1-(2,6-dimethylphenyl)propan-2-one
CID 130894296
[2-acetyloxy-1,2-bis(2,6-dimethylphenyl)ethyl] acetate
CID 11187358
1-chloro-1-(2-methoxy-6-methylphenyl)propan-2-one
CID 130839901
1-(2,5-dimethylphenyl)-1-methoxypropan-2-one
CID 59492308
S-(2,6-dimethylphenyl) ethanethioate
CID 14148890
2-(2-fluoro-3-methylphenyl)-2-methoxyacetic acid
CID 130877921
methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate
CID 130673957
methyl 2-amino-2-(2-chloro-6-methylphenyl)acetate
CID 130059706
1-chloro-1-(2-chloro-6-methylphenyl)propan-2-one
CID 131029150
methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate;hydrochloride
CID 171210746
1-(2,6-dimethylphenyl)-1-propoxybutan-2-one
CID 83225378

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-1-methoxypropan-2-one?
The IUPAC name of 1-(2,6-dimethylphenyl)-1-methoxypropan-2-one (CID 83224357) is 1-(2,6-dimethylphenyl)-1-methoxypropan-2-one.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-1-methoxypropan-2-one?
The canonical SMILES for 1-(2,6-dimethylphenyl)-1-methoxypropan-2-one is COC(C(C)=O)c1c(C)cccc1C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-1-methoxypropan-2-one?
The InChIKey is RETJDHVLAZBXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8-6-5-7-9(2)11(8)12(14-4)10(3)13/h5-7,12H,1-4H3.
What are the key properties of 1-(2,6-dimethylphenyl)-1-methoxypropan-2-one?
1-(2,6-dimethylphenyl)-1-methoxypropan-2-one has a molecular weight of 192.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-1-methoxypropan-2-one is sourced from PubChem (CID 83224357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).