2-ethoxy-1-(2-fluoro-5-methylphenyl)-2-methylpropan-1-one

C13H17FO2 — CID 116710090

IUPAC2-ethoxy-1-(2-fluoro-5-methylphenyl)-2-methylpropan-1-one
SMILESCCOC(C)(C)C(=O)c1cc(C)ccc1F
InChIInChI=1S/C13H17FO2/c1-5-16-13(3,4)12(15)10-8-9(2)6-7-11(10)14/h6-8H,5H2,1-4H3
InChIKeyBXXFDMISOUNFBI-UHFFFAOYSA-N
MW224.27 g/mol
LogP3.13
Rot. Bonds4

About 2-ethoxy-1-(2-fluoro-5-methylphenyl)-2-methylpropan-1-one

2-ethoxy-1-(2-fluoro-5-methylphenyl)-2-methylpropan-1-one (PubChem CID 116710090) has the molecular formula C13H17FO2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-ethoxy-1-(2-fluoro-5-methylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-(2-fluoro-5-methylphenyl)-2-methylpropan-1-one
PubChem CID116710090
Molecular FormulaC13H17FO2
Molecular Weight224.27 g/mol
Exact Mass224.12
IUPAC Name2-ethoxy-1-(2-fluoro-5-methylphenyl)-2-methylpropan-1-one
SMILESCCOC(C)(C)C(=O)c1cc(C)ccc1F
InChIInChI=1S/C13H17FO2/c1-5-16-13(3,4)12(15)10-8-9(2)6-7-11(10)14/h6-8H,5H2,1-4H3
InChIKeyBXXFDMISOUNFBI-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-2-ethyl-1-(2-fluoro-5-methylphenyl)butan-1-one
CID 116747123
2-(dimethylamino)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-one
CID 79052290
2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone
CID 62961335
ethyl 2-fluoro-5-methylbenzoate;2-fluoro-5-methylbenzoic acid
CID 158020470
2-ethoxy-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one
CID 107128425
2-ethoxy-2-methyl-1-(2,4,5-trimethylphenyl)propan-1-one
CID 116710232
2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64557392
N-(1-amino-2-methylbutan-2-yl)-2-fluoro-5-methylbenzamide
CID 64551129
1-(2-fluoro-5-methylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456342
2-fluoro-5-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 82724689
N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methylbenzamide
CID 79381420
2-fluoro-5-methyl-N-(2-methylpentan-2-yl)benzamide
CID 115605934

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(2-fluoro-5-methylphenyl)-2-methylpropan-1-one?
The IUPAC name of 2-ethoxy-1-(2-fluoro-5-methylphenyl)-2-methylpropan-1-one (CID 116710090) is 2-ethoxy-1-(2-fluoro-5-methylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 2-ethoxy-1-(2-fluoro-5-methylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 2-ethoxy-1-(2-fluoro-5-methylphenyl)-2-methylpropan-1-one is CCOC(C)(C)C(=O)c1cc(C)ccc1F.
What is the InChIKey of 2-ethoxy-1-(2-fluoro-5-methylphenyl)-2-methylpropan-1-one?
The InChIKey is BXXFDMISOUNFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-5-16-13(3,4)12(15)10-8-9(2)6-7-11(10)14/h6-8H,5H2,1-4H3.
What are the key properties of 2-ethoxy-1-(2-fluoro-5-methylphenyl)-2-methylpropan-1-one?
2-ethoxy-1-(2-fluoro-5-methylphenyl)-2-methylpropan-1-one has a molecular weight of 224.27 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(2-fluoro-5-methylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 116710090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).