1-(4-ethylphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone

C17H17FO2 — CID 107659479

IUPAC1-(4-ethylphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone
SMILESCCc1ccc(C(=O)COc2cccc(C)c2F)cc1
InChIInChI=1S/C17H17FO2/c1-3-13-7-9-14(10-8-13)15(19)11-20-16-6-4-5-12(2)17(16)18/h4-10H,3,11H2,1-2H3
InChIKeySCZVWJQLGZKIGU-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.96
Rot. Bonds5

About 1-(4-ethylphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone

1-(4-ethylphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone (PubChem CID 107659479) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone
PubChem CID107659479
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name1-(4-ethylphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone
SMILESCCc1ccc(C(=O)COc2cccc(C)c2F)cc1
InChIInChI=1S/C17H17FO2/c1-3-13-7-9-14(10-8-13)15(19)11-20-16-6-4-5-12(2)17(16)18/h4-10H,3,11H2,1-2H3
InChIKeySCZVWJQLGZKIGU-UHFFFAOYSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanone
CID 43799719
2-(2-fluoro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 107659414
2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 2179596
1-(2-ethoxyphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone
CID 107659470
2-(2-ethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 43412427
(4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81480205
2-(3-ethoxyphenoxy)-1-(4-ethylphenyl)ethanone
CID 62338272
1-(4-iodophenyl)-2-(2-methylphenoxy)ethanone
CID 43218793
2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 139247581
propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate
CID 103988371
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
2-(2,5-dichlorophenoxy)-1-(4-ethylphenyl)ethanone
CID 60623167

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone?
The IUPAC name of 1-(4-ethylphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone (CID 107659479) is 1-(4-ethylphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone?
The canonical SMILES for 1-(4-ethylphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone is CCc1ccc(C(=O)COc2cccc(C)c2F)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone?
The InChIKey is SCZVWJQLGZKIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-3-13-7-9-14(10-8-13)15(19)11-20-16-6-4-5-12(2)17(16)18/h4-10H,3,11H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone?
1-(4-ethylphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone has a molecular weight of 272.32 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone is sourced from PubChem (CID 107659479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).