2-(3,5-difluorophenoxy)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone

C16H14F2O4 — CID 118401844

IUPAC2-(3,5-difluorophenoxy)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone
SMILESCCc1cc(C(=O)COc2cc(F)cc(F)c2)c(O)cc1O
InChIInChI=1S/C16H14F2O4/c1-2-9-3-13(15(20)7-14(9)19)16(21)8-22-12-5-10(17)4-11(18)6-12/h3-7,19-20H,2,8H2,1H3
InChIKeyUCLJKDDSZVZOTJ-UHFFFAOYSA-N
MW308.28 g/mol
LogP3.20
Rot. Bonds5

About 2-(3,5-difluorophenoxy)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone

2-(3,5-difluorophenoxy)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone (PubChem CID 118401844) has the molecular formula C16H14F2O4 and a molecular weight of 308.28 g/mol. Its IUPAC name is 2-(3,5-difluorophenoxy)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-difluorophenoxy)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone
PubChem CID118401844
Molecular FormulaC16H14F2O4
Molecular Weight308.28 g/mol
Exact Mass308.09
IUPAC Name2-(3,5-difluorophenoxy)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone
SMILESCCc1cc(C(=O)COc2cc(F)cc(F)c2)c(O)cc1O
InChIInChI=1S/C16H14F2O4/c1-2-9-3-13(15(20)7-14(9)19)16(21)8-22-12-5-10(17)4-11(18)6-12/h3-7,19-20H,2,8H2,1H3
InChIKeyUCLJKDDSZVZOTJ-UHFFFAOYSA-N
XLogP3.20
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethyl-2,4-dihydroxyphenyl)-2-(4-ethylphenoxy)ethanone
CID 886154
2-[2-(5-ethyl-2,4-dihydroxyphenyl)-2-oxoethoxy]benzoic acid
CID 118401850
1-(2,4-dihydroxy-5-propylphenyl)-2-(2-fluorophenoxy)ethanone;1-(2,4-dihydroxy-5-propylphenyl)-2-(3-fluorophenoxy)ethanone
CID 144606938
2-(3,5-difluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 62785048
2-(3,5-difluorophenoxy)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 62400323
2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 62785423
2-(3,5-difluorophenoxy)acetyl chloride
CID 168917412
1-(5-hexyl-2,4-dihydroxyphenyl)-2-(4-propan-2-ylphenoxy)ethanone
CID 118400411
1-(3,5-difluorophenoxy)-3,3-dimethylbutan-2-one
CID 62784864
1-(3,5-difluorophenoxy)-3-methoxypropan-2-one
CID 107508147
2-(3,5-difluorophenoxy)-1-(4-methylsulfanylphenyl)ethanone
CID 62785613
2-(3-bromo-5-fluorophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 81315134

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenoxy)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone?
The IUPAC name of 2-(3,5-difluorophenoxy)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone (CID 118401844) is 2-(3,5-difluorophenoxy)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone.
What is the SMILES notation for 2-(3,5-difluorophenoxy)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone?
The canonical SMILES for 2-(3,5-difluorophenoxy)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone is CCc1cc(C(=O)COc2cc(F)cc(F)c2)c(O)cc1O.
What is the InChIKey of 2-(3,5-difluorophenoxy)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone?
The InChIKey is UCLJKDDSZVZOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O4/c1-2-9-3-13(15(20)7-14(9)19)16(21)8-22-12-5-10(17)4-11(18)6-12/h3-7,19-20H,2,8H2,1H3.
What are the key properties of 2-(3,5-difluorophenoxy)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone?
2-(3,5-difluorophenoxy)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone has a molecular weight of 308.28 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenoxy)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone is sourced from PubChem (CID 118401844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).