1-[2-(1-ethoxypropan-2-yloxy)-5-fluorophenyl]ethanone

C13H17FO3 — CID 103488735

IUPAC1-[2-(1-ethoxypropan-2-yloxy)-5-fluorophenyl]ethanone
SMILESCCOCC(C)Oc1ccc(F)cc1C(C)=O
InChIInChI=1S/C13H17FO3/c1-4-16-8-9(2)17-13-6-5-11(14)7-12(13)10(3)15/h5-7,9H,4,8H2,1-3H3
InChIKeyAIZKENUJFSZPTD-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.83
Rot. Bonds6

About 1-[2-(1-ethoxypropan-2-yloxy)-5-fluorophenyl]ethanone

1-[2-(1-ethoxypropan-2-yloxy)-5-fluorophenyl]ethanone (PubChem CID 103488735) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-[2-(1-ethoxypropan-2-yloxy)-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(1-ethoxypropan-2-yloxy)-5-fluorophenyl]ethanone
PubChem CID103488735
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name1-[2-(1-ethoxypropan-2-yloxy)-5-fluorophenyl]ethanone
SMILESCCOCC(C)Oc1ccc(F)cc1C(C)=O
InChIInChI=1S/C13H17FO3/c1-4-16-8-9(2)17-13-6-5-11(14)7-12(13)10(3)15/h5-7,9H,4,8H2,1-3H3
InChIKeyAIZKENUJFSZPTD-UHFFFAOYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(1-ethoxypropan-2-yloxy)-5-fluorophenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(1-ethoxypropan-2-yloxy)-3-fluorophenyl]ethanone
CID 103488725
2-(2-acetyl-4-fluorophenoxy)propanamide
CID 78906193
ethyl 5-fluoro-2-propan-2-yloxybenzoate
CID 82551429
1-[2-(ethoxymethoxy)-4-fluorophenyl]ethanone
CID 65369860
1-[2-(3-chloro-2-hydroxypropoxy)-5-fluorophenyl]ethanone
CID 112560860
1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone
CID 78992368
1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanone
CID 29003149
5-chloro-2-(1-ethoxypropan-2-yloxy)benzenecarbothioamide
CID 103488271
3-bromo-4-(1-ethoxypropan-2-yloxy)benzoic acid
CID 103490829
1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethanone
CID 131527772
1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethanone
CID 14797581
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethoxypropan-2-yloxy)-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(1-ethoxypropan-2-yloxy)-5-fluorophenyl]ethanone (CID 103488735) is 1-[2-(1-ethoxypropan-2-yloxy)-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(1-ethoxypropan-2-yloxy)-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(1-ethoxypropan-2-yloxy)-5-fluorophenyl]ethanone is CCOCC(C)Oc1ccc(F)cc1C(C)=O.
What is the InChIKey of 1-[2-(1-ethoxypropan-2-yloxy)-5-fluorophenyl]ethanone?
The InChIKey is AIZKENUJFSZPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-4-16-8-9(2)17-13-6-5-11(14)7-12(13)10(3)15/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 1-[2-(1-ethoxypropan-2-yloxy)-5-fluorophenyl]ethanone?
1-[2-(1-ethoxypropan-2-yloxy)-5-fluorophenyl]ethanone has a molecular weight of 240.27 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethoxypropan-2-yloxy)-5-fluorophenyl]ethanone is sourced from PubChem (CID 103488735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).