1-[2-(4-ethyl-2-methoxyphenoxy)-6-fluorophenyl]ethanone

C17H17FO3 — CID 107665218

IUPAC1-[2-(4-ethyl-2-methoxyphenoxy)-6-fluorophenyl]ethanone
SMILESCCc1ccc(Oc2cccc(F)c2C(C)=O)c(OC)c1
InChIInChI=1S/C17H17FO3/c1-4-12-8-9-14(16(10-12)20-3)21-15-7-5-6-13(18)17(15)11(2)19/h5-10H,4H2,1-3H3
InChIKeyCTJCOSNFFKSUTO-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.39
Rot. Bonds5

About 1-[2-(4-ethyl-2-methoxyphenoxy)-6-fluorophenyl]ethanone

1-[2-(4-ethyl-2-methoxyphenoxy)-6-fluorophenyl]ethanone (PubChem CID 107665218) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-[2-(4-ethyl-2-methoxyphenoxy)-6-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-ethyl-2-methoxyphenoxy)-6-fluorophenyl]ethanone
PubChem CID107665218
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name1-[2-(4-ethyl-2-methoxyphenoxy)-6-fluorophenyl]ethanone
SMILESCCc1ccc(Oc2cccc(F)c2C(C)=O)c(OC)c1
InChIInChI=1S/C17H17FO3/c1-4-12-8-9-14(16(10-12)20-3)21-15-7-5-6-13(18)17(15)11(2)19/h5-10H,4H2,1-3H3
InChIKeyCTJCOSNFFKSUTO-UHFFFAOYSA-N
XLogP4.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 158943354
CID 158943354
1-[3-(4-ethyl-2-methoxyphenoxy)phenyl]ethanone
CID 107665209
2-amino-3-(4-ethyl-2-methoxyphenoxy)benzoic acid
CID 107667476
1-(4-ethyl-2-methoxyphenoxy)-2-fluoro-4-methylbenzene
CID 143582804
N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]-4-hydroxybutanamide
CID 59191367
1-[2-(3,5-difluorophenoxy)-6-fluorophenyl]ethanone
CID 62785607
(4-ethyl-2-methoxyphenyl) acetate;propane
CID 160615709
2-(4-ethyl-2-methoxyphenoxy)-5-fluorobenzenecarbothioamide
CID 107664916
1-[2-(3-bromo-4-fluorophenoxy)-6-fluorophenyl]ethanone
CID 83235123
1-[2-(bromomethyl)phenoxy]-4-ethyl-2-methoxybenzene
CID 107666254
3-(2-acetyl-3-fluorophenoxy)-5-methoxybenzonitrile
CID 103567815
propyl 2-fluoro-6-methoxybenzoate
CID 65433073

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethyl-2-methoxyphenoxy)-6-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(4-ethyl-2-methoxyphenoxy)-6-fluorophenyl]ethanone (CID 107665218) is 1-[2-(4-ethyl-2-methoxyphenoxy)-6-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(4-ethyl-2-methoxyphenoxy)-6-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(4-ethyl-2-methoxyphenoxy)-6-fluorophenyl]ethanone is CCc1ccc(Oc2cccc(F)c2C(C)=O)c(OC)c1.
What is the InChIKey of 1-[2-(4-ethyl-2-methoxyphenoxy)-6-fluorophenyl]ethanone?
The InChIKey is CTJCOSNFFKSUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-4-12-8-9-14(16(10-12)20-3)21-15-7-5-6-13(18)17(15)11(2)19/h5-10H,4H2,1-3H3.
What are the key properties of 1-[2-(4-ethyl-2-methoxyphenoxy)-6-fluorophenyl]ethanone?
1-[2-(4-ethyl-2-methoxyphenoxy)-6-fluorophenyl]ethanone has a molecular weight of 288.32 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethyl-2-methoxyphenoxy)-6-fluorophenyl]ethanone is sourced from PubChem (CID 107665218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).