2-ethoxy-1-(5-fluoro-2-methoxyphenyl)butan-1-one

C13H17FO3 — CID 116707692

IUPAC2-ethoxy-1-(5-fluoro-2-methoxyphenyl)butan-1-one
SMILESCCOC(CC)C(=O)c1cc(F)ccc1OC
InChIInChI=1S/C13H17FO3/c1-4-11(17-5-2)13(15)10-8-9(14)6-7-12(10)16-3/h6-8,11H,4-5H2,1-3H3
InChIKeyCVWGKWITELPRED-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.83
Rot. Bonds6

About 2-ethoxy-1-(5-fluoro-2-methoxyphenyl)butan-1-one

2-ethoxy-1-(5-fluoro-2-methoxyphenyl)butan-1-one (PubChem CID 116707692) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-ethoxy-1-(5-fluoro-2-methoxyphenyl)butan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-(5-fluoro-2-methoxyphenyl)butan-1-one
PubChem CID116707692
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name2-ethoxy-1-(5-fluoro-2-methoxyphenyl)butan-1-one
SMILESCCOC(CC)C(=O)c1cc(F)ccc1OC
InChIInChI=1S/C13H17FO3/c1-4-11(17-5-2)13(15)10-8-9(14)6-7-12(10)16-3/h6-8,11H,4-5H2,1-3H3
InChIKeyCVWGKWITELPRED-UHFFFAOYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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-(2,5-dimethoxyphenyl)-2-ethoxybutan-1-one
CID 116707667
methyl 2-(5-fluoro-2-methoxybenzoyl)butanoate
CID 116923588
2-bromo-3-chloro-1-(5-fluoro-2-methoxyphenyl)propan-1-one
CID 82124582
1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-one
CID 43161544
1-(5-fluoro-2-methoxyphenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586971
(2S)-2-[(5-fluoro-2-methoxybenzoyl)amino]butanoic acid
CID 129414819
2-butan-2-ylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43412504
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
propyl 5-fluoro-2-methoxybenzoate
CID 78846828
2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-hydroxybutan-1-one
CID 103447173
1-(5-fluoro-2-methoxyphenyl)hexan-1-one
CID 43161521
1-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2-methylbutan-1-one
CID 103446826

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(5-fluoro-2-methoxyphenyl)butan-1-one?
The IUPAC name of 2-ethoxy-1-(5-fluoro-2-methoxyphenyl)butan-1-one (CID 116707692) is 2-ethoxy-1-(5-fluoro-2-methoxyphenyl)butan-1-one.
What is the SMILES notation for 2-ethoxy-1-(5-fluoro-2-methoxyphenyl)butan-1-one?
The canonical SMILES for 2-ethoxy-1-(5-fluoro-2-methoxyphenyl)butan-1-one is CCOC(CC)C(=O)c1cc(F)ccc1OC.
What is the InChIKey of 2-ethoxy-1-(5-fluoro-2-methoxyphenyl)butan-1-one?
The InChIKey is CVWGKWITELPRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-4-11(17-5-2)13(15)10-8-9(14)6-7-12(10)16-3/h6-8,11H,4-5H2,1-3H3.
What are the key properties of 2-ethoxy-1-(5-fluoro-2-methoxyphenyl)butan-1-one?
2-ethoxy-1-(5-fluoro-2-methoxyphenyl)butan-1-one has a molecular weight of 240.27 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(5-fluoro-2-methoxyphenyl)butan-1-one is sourced from PubChem (CID 116707692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).