1-[2-[1-(4-fluorophenyl)ethyl]-4-methylphenyl]ethanone

C17H17FO — CID 135057434

IUPAC1-[2-[1-(4-fluorophenyl)ethyl]-4-methylphenyl]ethanone
SMILESCC(=O)c1ccc(C)cc1C(C)c1ccc(F)cc1
InChIInChI=1S/C17H17FO/c1-11-4-9-16(13(3)19)17(10-11)12(2)14-5-7-15(18)8-6-14/h4-10,12H,1-3H3
InChIKeyLYPSNGSWQZNVDY-UHFFFAOYSA-N
MW256.32 g/mol
LogP4.49
Rot. Bonds3

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

1-[2-[1-(4-fluorophenyl)ethyl]-4-methylphenyl]ethanone (PubChem CID 135057434) has the molecular formula C17H17FO and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-[2-[1-(4-fluorophenyl)ethyl]-4-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-[1-(4-fluorophenyl)ethyl]-4-methylphenyl]ethanone
PubChem CID135057434
Molecular FormulaC17H17FO
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name1-[2-[1-(4-fluorophenyl)ethyl]-4-methylphenyl]ethanone
SMILESCC(=O)c1ccc(C)cc1C(C)c1ccc(F)cc1
InChIInChI=1S/C17H17FO/c1-11-4-9-16(13(3)19)17(10-11)12(2)14-5-7-15(18)8-6-14/h4-10,12H,1-3H3
InChIKeyLYPSNGSWQZNVDY-UHFFFAOYSA-N
XLogP4.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Anthrone
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2-Acetylnaphthalene
CID 7122
Miltirone
CID 160142
2-Methylanthraquinone
CID 6773
2,4-Dimethylacetophenone
CID 6985
2-Ethylanthraquinone
CID 6772
Cyclohexyl phenyl ketone
CID 12837
Ethanone, 1-(2,4,6-trimethylphenyl)-
CID 15461

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-fluorophenyl)ethyl]-4-methylphenyl]ethanone?
The IUPAC name of 1-[2-[1-(4-fluorophenyl)ethyl]-4-methylphenyl]ethanone (CID 135057434) is 1-[2-[1-(4-fluorophenyl)ethyl]-4-methylphenyl]ethanone.
What is the SMILES notation for 1-[2-[1-(4-fluorophenyl)ethyl]-4-methylphenyl]ethanone?
The canonical SMILES for 1-[2-[1-(4-fluorophenyl)ethyl]-4-methylphenyl]ethanone is CC(=O)c1ccc(C)cc1C(C)c1ccc(F)cc1.
What is the InChIKey of 1-[2-[1-(4-fluorophenyl)ethyl]-4-methylphenyl]ethanone?
The InChIKey is LYPSNGSWQZNVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO/c1-11-4-9-16(13(3)19)17(10-11)12(2)14-5-7-15(18)8-6-14/h4-10,12H,1-3H3.
What are the key properties of 1-[2-[1-(4-fluorophenyl)ethyl]-4-methylphenyl]ethanone?
1-[2-[1-(4-fluorophenyl)ethyl]-4-methylphenyl]ethanone has a molecular weight of 256.32 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-fluorophenyl)ethyl]-4-methylphenyl]ethanone is sourced from PubChem (CID 135057434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).