1-(2,4-diethyl-3-fluoro-6-hydroxyphenyl)ethanone

C12H15FO2 — CID 102273469

IUPAC1-(2,4-diethyl-3-fluoro-6-hydroxyphenyl)ethanone
SMILESCCc1cc(O)c(C(C)=O)c(CC)c1F
InChIInChI=1S/C12H15FO2/c1-4-8-6-10(15)11(7(3)14)9(5-2)12(8)13/h6,15H,4-5H2,1-3H3
InChIKeyBMGPQVLKTOYKHT-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.86
Rot. Bonds3

About 1-(2,4-diethyl-3-fluoro-6-hydroxyphenyl)ethanone

1-(2,4-diethyl-3-fluoro-6-hydroxyphenyl)ethanone (PubChem CID 102273469) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-(2,4-diethyl-3-fluoro-6-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,4-diethyl-3-fluoro-6-hydroxyphenyl)ethanone
PubChem CID102273469
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name1-(2,4-diethyl-3-fluoro-6-hydroxyphenyl)ethanone
SMILESCCc1cc(O)c(C(C)=O)c(CC)c1F
InChIInChI=1S/C12H15FO2/c1-4-8-6-10(15)11(7(3)14)9(5-2)12(8)13/h6,15H,4-5H2,1-3H3
InChIKeyBMGPQVLKTOYKHT-UHFFFAOYSA-N
XLogP2.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-diethyl-3-fluoro-6-hydroxyphenyl)-phenylmethanone
CID 102273470
3,4-diethyl-2,6-dihydroxybenzoic acid
CID 141390426
5-ethyl-4-fluoro-2-methylphenol
CID 118092212
1-[3-fluoro-2,4,6-tris(methoxymethyl)phenyl]ethanone
CID 88656859
2-acetyl-3-ethyl-5-fluorobenzonitrile
CID 131325161
1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone
CID 117289595
1-(2,4-dihydroxy-6-propylphenyl)ethanone
CID 131973876
1-(3-bromo-5-ethyl-4-fluorophenyl)ethanone
CID 117363982
1-(5-chloro-3-ethyl-4-fluoro-2-hydroxyphenyl)ethanone;ethane
CID 145146839
1-(4-fluoro-2-hydroxy-6-iodophenyl)ethanone
CID 171016085
3-ethyl-4,5-difluorophenol
CID 147335111
5-acetyl-4-ethyl-2-hydroxybenzonitrile
CID 131349259

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diethyl-3-fluoro-6-hydroxyphenyl)ethanone?
The IUPAC name of 1-(2,4-diethyl-3-fluoro-6-hydroxyphenyl)ethanone (CID 102273469) is 1-(2,4-diethyl-3-fluoro-6-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(2,4-diethyl-3-fluoro-6-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(2,4-diethyl-3-fluoro-6-hydroxyphenyl)ethanone is CCc1cc(O)c(C(C)=O)c(CC)c1F.
What is the InChIKey of 1-(2,4-diethyl-3-fluoro-6-hydroxyphenyl)ethanone?
The InChIKey is BMGPQVLKTOYKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-4-8-6-10(15)11(7(3)14)9(5-2)12(8)13/h6,15H,4-5H2,1-3H3.
What are the key properties of 1-(2,4-diethyl-3-fluoro-6-hydroxyphenyl)ethanone?
1-(2,4-diethyl-3-fluoro-6-hydroxyphenyl)ethanone has a molecular weight of 210.25 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diethyl-3-fluoro-6-hydroxyphenyl)ethanone is sourced from PubChem (CID 102273469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).