1-(2-fluoro-4,6-dimethylphenyl)-3-methoxy-3-methylbutan-1-one

C14H19FO2 — CID 106883351

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-3-methoxy-3-methylbutan-1-one
SMILESCOC(C)(C)CC(=O)c1c(C)cc(C)cc1F
InChIInChI=1S/C14H19FO2/c1-9-6-10(2)13(11(15)7-9)12(16)8-14(3,4)17-5/h6-7H,8H2,1-5H3
InChIKeyZZGJBSSDPFORID-UHFFFAOYSA-N
MW238.30 g/mol
LogP3.44
Rot. Bonds4

About 1-(2-fluoro-4,6-dimethylphenyl)-3-methoxy-3-methylbutan-1-one

1-(2-fluoro-4,6-dimethylphenyl)-3-methoxy-3-methylbutan-1-one (PubChem CID 106883351) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-3-methoxy-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-3-methoxy-3-methylbutan-1-one
PubChem CID106883351
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-3-methoxy-3-methylbutan-1-one
SMILESCOC(C)(C)CC(=O)c1c(C)cc(C)cc1F
InChIInChI=1S/C14H19FO2/c1-9-6-10(2)13(11(15)7-9)12(16)8-14(3,4)17-5/h6-7H,8H2,1-5H3
InChIKeyZZGJBSSDPFORID-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone
CID 106880740
1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880723
1-(4-fluoro-3-methylphenyl)-3-methoxy-3-methylbutan-1-one
CID 103023187
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 130665453
1-(2-fluoro-4,6-dimethylphenyl)-2,2-dimethylbutan-1-one
CID 106883231
3-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880998
1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyethylamino)ethanone
CID 106883090
1-(2-fluoro-4,6-dimethylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 106880988
1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-1-one
CID 103023430
(2-fluoro-4,6-dimethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 106883314
1-(3-fluoro-5-methylphenyl)-4-methoxy-4-methylpentan-1-one
CID 103024524
2-(aminomethyl)-2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-one
CID 106883129

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-3-methoxy-3-methylbutan-1-one?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-3-methoxy-3-methylbutan-1-one (CID 106883351) is 1-(2-fluoro-4,6-dimethylphenyl)-3-methoxy-3-methylbutan-1-one.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-3-methoxy-3-methylbutan-1-one?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-3-methoxy-3-methylbutan-1-one is COC(C)(C)CC(=O)c1c(C)cc(C)cc1F.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-3-methoxy-3-methylbutan-1-one?
The InChIKey is ZZGJBSSDPFORID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-9-6-10(2)13(11(15)7-9)12(16)8-14(3,4)17-5/h6-7H,8H2,1-5H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-3-methoxy-3-methylbutan-1-one?
1-(2-fluoro-4,6-dimethylphenyl)-3-methoxy-3-methylbutan-1-one has a molecular weight of 238.30 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethylphenyl)-3-methoxy-3-methylbutan-1-one is sourced from PubChem (CID 106883351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).