2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone

C17H17FO2 — CID 43413435

IUPAC2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)COc2cccc(F)c2)cc1
InChIInChI=1S/C17H17FO2/c1-12(2)13-6-8-14(9-7-13)17(19)11-20-16-5-3-4-15(18)10-16/h3-10,12H,11H2,1-2H3
InChIKeyQZBKHNXMPVSPBF-UHFFFAOYSA-N
MW272.32 g/mol
LogP4.21
Rot. Bonds5

About 2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone

2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 43413435) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
PubChem CID43413435
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)COc2cccc(F)c2)cc1
InChIInChI=1S/C17H17FO2/c1-12(2)13-6-8-14(9-7-13)17(19)11-20-16-5-3-4-15(18)10-16/h3-10,12H,11H2,1-2H3
InChIKeyQZBKHNXMPVSPBF-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

Analyze 2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)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-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612544
2-(3-fluorophenoxy)-1-(4-methoxyphenyl)ethanone
CID 43413421
2-(3-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43411799
2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43612507
2-(3-fluorophenoxy)-1-(4-iodophenyl)ethanone
CID 43218799
3-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]benzaldehyde
CID 60624316
1-(4-chlorophenyl)-2-(3-propan-2-ylphenoxy)ethanone
CID 43412075
2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 60624469
1-(3,4-dimethylphenyl)-2-(3-fluorophenoxy)ethanone
CID 43413436
2-(2-fluoro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 107659414
1-(2,4-difluorophenyl)-2-(3-propan-2-ylphenoxy)ethanone
CID 43612562
1-(4-fluorophenyl)-3-(3-propan-2-ylphenoxy)propan-1-one
CID 43793564

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone (CID 43413435) is 2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(C(=O)COc2cccc(F)c2)cc1.
What is the InChIKey of 2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is QZBKHNXMPVSPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-12(2)13-6-8-14(9-7-13)17(19)11-20-16-5-3-4-15(18)10-16/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone?
2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)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 2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 43413435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).