1-(2-fluorophenyl)-2-(2-propan-2-ylphenoxy)ethanone

C17H17FO2 — CID 43413870

IUPAC1-(2-fluorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1ccccc1OCC(=O)c1ccccc1F
InChIInChI=1S/C17H17FO2/c1-12(2)13-7-4-6-10-17(13)20-11-16(19)14-8-3-5-9-15(14)18/h3-10,12H,11H2,1-2H3
InChIKeyPHJHPLLLGCOCCQ-UHFFFAOYSA-N
MW272.32 g/mol
LogP4.21
Rot. Bonds5

About 1-(2-fluorophenyl)-2-(2-propan-2-ylphenoxy)ethanone

1-(2-fluorophenyl)-2-(2-propan-2-ylphenoxy)ethanone (PubChem CID 43413870) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(2-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
PubChem CID43413870
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name1-(2-fluorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1ccccc1OCC(=O)c1ccccc1F
InChIInChI=1S/C17H17FO2/c1-12(2)13-7-4-6-10-17(13)20-11-16(19)14-8-3-5-9-15(14)18/h3-10,12H,11H2,1-2H3
InChIKeyPHJHPLLLGCOCCQ-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413856
1-(2-fluorophenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
CID 60623516
1-(2,4-dihydroxyphenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 724519
2-(2,5-difluorophenoxy)-1-(2-fluorophenyl)ethanone
CID 63269522
1-(2,5-dibromothiophen-3-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43220137
1-(2-fluorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone
CID 107712927
2-(2-butan-2-ylphenoxy)-1-(2-chlorophenyl)ethanone
CID 43413875
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
2-(2,5-dichlorophenoxy)-1-(2-fluorophenyl)ethanone
CID 60623205
1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413871
N-methyl-2-(2-propan-2-ylphenoxy)acetohydrazide
CID 116820498

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(2-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-(2-fluorophenyl)-2-(2-propan-2-ylphenoxy)ethanone (CID 43413870) is 1-(2-fluorophenyl)-2-(2-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(2-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-(2-fluorophenyl)-2-(2-propan-2-ylphenoxy)ethanone is CC(C)c1ccccc1OCC(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-(2-propan-2-ylphenoxy)ethanone?
The InChIKey is PHJHPLLLGCOCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-12(2)13-7-4-6-10-17(13)20-11-16(19)14-8-3-5-9-15(14)18/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2-(2-propan-2-ylphenoxy)ethanone?
1-(2-fluorophenyl)-2-(2-propan-2-ylphenoxy)ethanone has a molecular weight of 272.32 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(2-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 43413870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).