2-(4-fluorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanone

C19H21FO — CID 66245946

IUPAC2-(4-fluorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanone
SMILESCCC(C)(C)c1ccc(C(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FO/c1-4-19(2,3)16-9-7-15(8-10-16)18(21)13-14-5-11-17(20)12-6-14/h5-12H,4,13H2,1-3H3
InChIKeyLXTFJXZTXQVCNG-UHFFFAOYSA-N
MW284.37 g/mol
LogP4.94
Rot. Bonds5

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

2-(4-fluorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanone (PubChem CID 66245946) has the molecular formula C19H21FO and a molecular weight of 284.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanone
PubChem CID66245946
Molecular FormulaC19H21FO
Molecular Weight284.37 g/mol
Exact Mass284.16
IUPAC Name2-(4-fluorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanone
SMILESCCC(C)(C)c1ccc(C(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FO/c1-4-19(2,3)16-9-7-15(8-10-16)18(21)13-14-5-11-17(20)12-6-14/h5-12H,4,13H2,1-3H3
InChIKeyLXTFJXZTXQVCNG-UHFFFAOYSA-N
XLogP4.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2-methylbutan-2-yl)phenyl]-2-phenylethanone
CID 66258775
1-[4-(2-methylbutan-2-yl)phenyl]propan-1-one
CID 19870051
1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone
CID 165436365
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
4-[2-(4-fluorophenyl)acetyl]benzaldehyde
CID 82117645
1-(4-fluorophenyl)-2-(4-nitrophenyl)ethanone
CID 23372647
1-(4-ethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 64759583
1-(3,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone
CID 46881771
2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 63411309
1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116548236
4-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzoic acid
CID 70007981
1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone
CID 63194906

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanone (CID 66245946) is 2-(4-fluorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanone is CCC(C)(C)c1ccc(C(=O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanone?
The InChIKey is LXTFJXZTXQVCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO/c1-4-19(2,3)16-9-7-15(8-10-16)18(21)13-14-5-11-17(20)12-6-14/h5-12H,4,13H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanone?
2-(4-fluorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanone has a molecular weight of 284.37 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanone is sourced from PubChem (CID 66245946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).