2-ethoxy-1-(4-fluoro-3-methylphenyl)pentan-1-one

C14H19FO2 — CID 116707896

IUPAC2-ethoxy-1-(4-fluoro-3-methylphenyl)pentan-1-one
SMILESCCCC(OCC)C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C14H19FO2/c1-4-6-13(17-5-2)14(16)11-7-8-12(15)10(3)9-11/h7-9,13H,4-6H2,1-3H3
InChIKeyMMFMGOMANPLWLT-UHFFFAOYSA-N
MW238.30 g/mol
LogP3.52
Rot. Bonds6

About 2-ethoxy-1-(4-fluoro-3-methylphenyl)pentan-1-one

2-ethoxy-1-(4-fluoro-3-methylphenyl)pentan-1-one (PubChem CID 116707896) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 2-ethoxy-1-(4-fluoro-3-methylphenyl)pentan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-(4-fluoro-3-methylphenyl)pentan-1-one
PubChem CID116707896
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name2-ethoxy-1-(4-fluoro-3-methylphenyl)pentan-1-one
SMILESCCCC(OCC)C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C14H19FO2/c1-4-6-13(17-5-2)14(16)11-7-8-12(15)10(3)9-11/h7-9,13H,4-6H2,1-3H3
InChIKeyMMFMGOMANPLWLT-UHFFFAOYSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(4-fluoro-3-methylbenzoyl)pentanoate
CID 83049789
ethyl 2-(4-fluoro-3-methylphenoxy)pentanoate
CID 83037537
1-(4-chloro-3-methoxyphenyl)-2-ethoxypentan-1-one
CID 116707900
2-ethoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one
CID 102752803
ethyl 4-(4-fluoro-3-methylphenyl)-4-oxo-3-(propylamino)butanoate
CID 82322205
1-(4-fluoro-3-methylphenyl)-2-(hydroxymethyl)-3-methylbutan-1-one
CID 116923264
2-ethoxy-1-[3-(2-methylpropyl)phenyl]pentan-1-one
CID 116707745
1-(3-fluoro-4-methylphenyl)-2-propylpentan-1-one
CID 107129986
1-(3-chloro-4-methylphenyl)-2-ethoxybutan-1-one
CID 107559945
1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one
CID 114521268
4-(4-fluoro-3-methylphenyl)-4-oxo-3-(propylamino)butanoic acid
CID 82322731
heptan-2-yl 4-fluoro-3-methylbenzoate
CID 122423278

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(4-fluoro-3-methylphenyl)pentan-1-one?
The IUPAC name of 2-ethoxy-1-(4-fluoro-3-methylphenyl)pentan-1-one (CID 116707896) is 2-ethoxy-1-(4-fluoro-3-methylphenyl)pentan-1-one.
What is the SMILES notation for 2-ethoxy-1-(4-fluoro-3-methylphenyl)pentan-1-one?
The canonical SMILES for 2-ethoxy-1-(4-fluoro-3-methylphenyl)pentan-1-one is CCCC(OCC)C(=O)c1ccc(F)c(C)c1.
What is the InChIKey of 2-ethoxy-1-(4-fluoro-3-methylphenyl)pentan-1-one?
The InChIKey is MMFMGOMANPLWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-4-6-13(17-5-2)14(16)11-7-8-12(15)10(3)9-11/h7-9,13H,4-6H2,1-3H3.
What are the key properties of 2-ethoxy-1-(4-fluoro-3-methylphenyl)pentan-1-one?
2-ethoxy-1-(4-fluoro-3-methylphenyl)pentan-1-one has a molecular weight of 238.30 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(4-fluoro-3-methylphenyl)pentan-1-one is sourced from PubChem (CID 116707896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).