1-(4-fluorophenyl)-2-(2-propan-2-ylphenoxy)propan-1-one

C18H19FO2 — CID 43413854

IUPAC1-(4-fluorophenyl)-2-(2-propan-2-ylphenoxy)propan-1-one
SMILESCC(Oc1ccccc1C(C)C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C18H19FO2/c1-12(2)16-6-4-5-7-17(16)21-13(3)18(20)14-8-10-15(19)11-9-14/h4-13H,1-3H3
InChIKeyUAGKLZRWKQUDMG-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.60
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(2-propan-2-ylphenoxy)propan-1-one

1-(4-fluorophenyl)-2-(2-propan-2-ylphenoxy)propan-1-one (PubChem CID 43413854) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(2-propan-2-ylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(2-propan-2-ylphenoxy)propan-1-one
PubChem CID43413854
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name1-(4-fluorophenyl)-2-(2-propan-2-ylphenoxy)propan-1-one
SMILESCC(Oc1ccccc1C(C)C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C18H19FO2/c1-12(2)16-6-4-5-7-17(16)21-13(3)18(20)14-8-10-15(19)11-9-14/h4-13H,1-3H3
InChIKeyUAGKLZRWKQUDMG-UHFFFAOYSA-N
XLogP4.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-[2-(hydroxymethyl)phenoxy]propan-1-one
CID 63654138
(2R)-N,N-dimethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 94011896
2-(2,4-difluorophenoxy)-1-phenylpropan-1-one
CID 43218886
N-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 133239810
2-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 64854262
2-fluoro-6-[1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 62032368
(2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636194
(2R)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636193
(2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one
CID 94185693
1-(4-methylphenyl)-2-(2-methylsulfanylphenoxy)propan-1-one
CID 63647844
(2R)-N-carbamoyl-2-(2-propan-2-ylphenoxy)propanamide
CID 95358323
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(2-propan-2-ylphenoxy)propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-2-(2-propan-2-ylphenoxy)propan-1-one (CID 43413854) is 1-(4-fluorophenyl)-2-(2-propan-2-ylphenoxy)propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(2-propan-2-ylphenoxy)propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-2-(2-propan-2-ylphenoxy)propan-1-one is CC(Oc1ccccc1C(C)C)C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(2-propan-2-ylphenoxy)propan-1-one?
The InChIKey is UAGKLZRWKQUDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO2/c1-12(2)16-6-4-5-7-17(16)21-13(3)18(20)14-8-10-15(19)11-9-14/h4-13H,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-2-(2-propan-2-ylphenoxy)propan-1-one?
1-(4-fluorophenyl)-2-(2-propan-2-ylphenoxy)propan-1-one has a molecular weight of 286.35 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(2-propan-2-ylphenoxy)propan-1-one is sourced from PubChem (CID 43413854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).