1-(2-ethoxyphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone

C17H17FO3 — CID 107659470

IUPAC1-(2-ethoxyphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone
SMILESCCOc1ccccc1C(=O)COc1cccc(C)c1F
InChIInChI=1S/C17H17FO3/c1-3-20-15-9-5-4-8-13(15)14(19)11-21-16-10-6-7-12(2)17(16)18/h4-10H,3,11H2,1-2H3
InChIKeyFRQUUUCTPYAMHC-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.79
Rot. Bonds6

About 1-(2-ethoxyphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone

1-(2-ethoxyphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone (PubChem CID 107659470) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone
PubChem CID107659470
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name1-(2-ethoxyphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone
SMILESCCOc1ccccc1C(=O)COc1cccc(C)c1F
InChIInChI=1S/C17H17FO3/c1-3-20-15-9-5-4-8-13(15)14(19)11-21-16-10-6-7-12(2)17(16)18/h4-10H,3,11H2,1-2H3
InChIKeyFRQUUUCTPYAMHC-UHFFFAOYSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
2-(2,5-difluorophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 63269700
1-(4-ethylphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone
CID 107659479
1-(2-ethoxyphenyl)-2-(4-methylsulfanylphenoxy)ethanone
CID 63649372
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
2-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 62029870
3-ethoxy-2-fluorobenzoate
CID 86306838
1-(2-ethoxyphenyl)-2-(3-ethylphenoxy)ethanone
CID 43799191
2-(3-bromo-5-fluorophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 81315134
3-bromo-1-(3-ethoxy-2-fluorophenyl)propan-1-one
CID 134624784
1-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 61229921
2-(2,5-difluorophenoxy)-1-(2-methylphenyl)ethanone
CID 55169275

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone (CID 107659470) is 1-(2-ethoxyphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone is CCOc1ccccc1C(=O)COc1cccc(C)c1F.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone?
The InChIKey is FRQUUUCTPYAMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-3-20-15-9-5-4-8-13(15)14(19)11-21-16-10-6-7-12(2)17(16)18/h4-10H,3,11H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone?
1-(2-ethoxyphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone has a molecular weight of 288.32 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone is sourced from PubChem (CID 107659470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).