2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-hydroxybutan-1-one

C13H17FO3 — CID 103447173

IUPAC2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-hydroxybutan-1-one
SMILESCCC(O)(CC)C(=O)c1cc(F)ccc1OC
InChIInChI=1S/C13H17FO3/c1-4-13(16,5-2)12(15)10-8-9(14)6-7-11(10)17-3/h6-8,16H,4-5H2,1-3H3
InChIKeyQMZNMIRAJHRCBS-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.57
Rot. Bonds5

About 2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-hydroxybutan-1-one

2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-hydroxybutan-1-one (PubChem CID 103447173) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-hydroxybutan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-hydroxybutan-1-one
PubChem CID103447173
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-hydroxybutan-1-one
SMILESCCC(O)(CC)C(=O)c1cc(F)ccc1OC
InChIInChI=1S/C13H17FO3/c1-4-13(16,5-2)12(15)10-8-9(14)6-7-11(10)17-3/h6-8,16H,4-5H2,1-3H3
InChIKeyQMZNMIRAJHRCBS-UHFFFAOYSA-N
XLogP2.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2-methylbutan-1-one
CID 103446826
2-bromo-2,2-difluoro-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 131390571
3-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-3-oxopropanoic acid
CID 116918063
1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566511
propyl 5-fluoro-2-methoxybenzoate
CID 78846828
1-(2,4-dimethoxyphenyl)-2-ethyl-2-hydroxybutan-1-one
CID 103446903
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
1-(5-fluoro-2-methoxyphenyl)hexan-1-one
CID 43161521
4-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727272
2-ethoxy-1-(5-fluoro-2-methoxyphenyl)butan-1-one
CID 116707692
1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-one
CID 43161544
methyl 2-(5-fluoro-2-methoxybenzoyl)butanoate
CID 116923588

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-hydroxybutan-1-one?
The IUPAC name of 2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-hydroxybutan-1-one (CID 103447173) is 2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-hydroxybutan-1-one.
What is the SMILES notation for 2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-hydroxybutan-1-one?
The canonical SMILES for 2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-hydroxybutan-1-one is CCC(O)(CC)C(=O)c1cc(F)ccc1OC.
What is the InChIKey of 2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-hydroxybutan-1-one?
The InChIKey is QMZNMIRAJHRCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-4-13(16,5-2)12(15)10-8-9(14)6-7-11(10)17-3/h6-8,16H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-hydroxybutan-1-one?
2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-hydroxybutan-1-one has a molecular weight of 240.27 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-hydroxybutan-1-one is sourced from PubChem (CID 103447173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).