1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone

C18H19FO — CID 165436365

IUPAC1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone
SMILESCC(C)Cc1ccc(CC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FO/c1-13(2)11-14-3-5-15(6-4-14)12-18(20)16-7-9-17(19)10-8-16/h3-10,13H,11-12H2,1-2H3
InChIKeyLETMCQGPJLDEGT-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.45
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone

1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone (PubChem CID 165436365) has the molecular formula C18H19FO and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone
PubChem CID165436365
Molecular FormulaC18H19FO
Molecular Weight270.35 g/mol
Exact Mass270.14
IUPAC Name1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone
SMILESCC(C)Cc1ccc(CC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FO/c1-13(2)11-14-3-5-15(6-4-14)12-18(20)16-7-9-17(19)10-8-16/h3-10,13H,11-12H2,1-2H3
InChIKeyLETMCQGPJLDEGT-UHFFFAOYSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dimethylphenyl)-1-[4-(2-methylpropyl)phenyl]ethanone
CID 63491622
1-[4-(2-methylpropyl)phenyl]-3-sulfanylpropan-1-one
CID 94684203
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
4-[2-(4-fluorophenyl)acetyl]benzaldehyde
CID 82117645
4,4-difluoro-1-[4-(2-methylpropyl)phenyl]butane-1,3-dione
CID 43118308
2-(4-fluorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanone
CID 66245946
1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 145233135
1-(4-fluorophenyl)-2-(4-nitrophenyl)ethanone
CID 23372647
1-[4-(2-methylpropyl)phenyl]decan-1-one
CID 65449495
(2S)-2-chloro-1-[4-(2-methylpropyl)phenyl]propan-1-one
CID 6931819
1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene
CID 157379401
1-(3,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone
CID 46881771

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone (CID 165436365) is 1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone is CC(C)Cc1ccc(CC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone?
The InChIKey is LETMCQGPJLDEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO/c1-13(2)11-14-3-5-15(6-4-14)12-18(20)16-7-9-17(19)10-8-16/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone?
1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone has a molecular weight of 270.35 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone is sourced from PubChem (CID 165436365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).