1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-one

C13H17FO3 — CID 116746583

IUPAC1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-one
SMILESCCC(C)(OC)C(=O)c1cccc(OC)c1F
InChIInChI=1S/C13H17FO3/c1-5-13(2,17-4)12(15)9-7-6-8-10(16-3)11(9)14/h6-8H,5H2,1-4H3
InChIKeyQEHQUBYBYLWJFF-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.83
Rot. Bonds5

About 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-one

1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-one (PubChem CID 116746583) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-one
PubChem CID116746583
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-one
SMILESCCC(C)(OC)C(=O)c1cccc(OC)c1F
InChIInChI=1S/C13H17FO3/c1-5-13(2,17-4)12(15)9-7-6-8-10(16-3)11(9)14/h6-8H,5H2,1-4H3
InChIKeyQEHQUBYBYLWJFF-UHFFFAOYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 82807864
2-chloro-2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanone
CID 112575015
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-one
CID 115792771
3-bromo-1-(2-fluoro-3-methoxyphenyl)propan-1-one
CID 134658322
1-(3-bromo-2,4-dimethoxyphenyl)-2-methoxy-2-methylbutan-1-one
CID 103523137
1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599250
1-(2-fluoro-3-methoxyphenyl)prop-2-en-1-one
CID 103453675
1-[3-methoxy-2-(trifluoromethyl)phenyl]propan-1-one
CID 134627051
2-methoxy-2-methyl-1-phenylbutan-1-one
CID 10261995
2-ethyl-2-methoxy-1-(2-methoxyphenyl)butan-1-one
CID 116747491
2-(2-fluoro-3-methoxyphenyl)but-2-enoic acid
CID 174955352

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-one?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-one (CID 116746583) is 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-one.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-one?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-one is CCC(C)(OC)C(=O)c1cccc(OC)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-one?
The InChIKey is QEHQUBYBYLWJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-5-13(2,17-4)12(15)9-7-6-8-10(16-3)11(9)14/h6-8H,5H2,1-4H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-one?
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-one has a molecular weight of 240.27 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-one is sourced from PubChem (CID 116746583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).