2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone

C21H15FO2 — CID 102580971

IUPAC2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
SMILESO=C(Cc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccccc1
InChIInChI=1S/C21H15FO2/c22-19-12-10-18(11-13-19)21(24)17-8-6-15(7-9-17)14-20(23)16-4-2-1-3-5-16/h1-13H,14H2
InChIKeyKLLKZNKJJRYZCT-UHFFFAOYSA-N
MW318.35 g/mol
LogP4.48
Rot. Bonds5

About 2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone

2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone (PubChem CID 102580971) has the molecular formula C21H15FO2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
PubChem CID102580971
Molecular FormulaC21H15FO2
Molecular Weight318.35 g/mol
Exact Mass318.11
IUPAC Name2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
SMILESO=C(Cc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccccc1
InChIInChI=1S/C21H15FO2/c22-19-12-10-18(11-13-19)21(24)17-8-6-15(7-9-17)14-20(23)16-4-2-1-3-5-16/h1-13H,14H2
InChIKeyKLLKZNKJJRYZCT-UHFFFAOYSA-N
XLogP4.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-diphenylethanone;diphenylmethanone
CID 141067729
(4-fluorophenyl)-phenylmethanone
CID 161464622
2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-phenylethanone
CID 151688596
4-phenacylbenzoyl iodide
CID 142013538
2-[4-(3-fluorobenzoyl)phenyl]acetic acid
CID 82120891
4-[2-(4-fluorophenyl)acetyl]benzaldehyde
CID 82117645
1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone
CID 165436365
4-benzoyl-2-[3-(4-fluorophenyl)propyl]benzoic acid
CID 143291728
4-(4-benzoylphenyl)-1-phenylbutan-1-one
CID 15737707
2-(4-fluorophenyl)-1-(3-iodophenyl)ethanone
CID 24723952
1-(4-fluorophenyl)-2-(4-nitrophenyl)ethanone
CID 23372647
N'-[2-(4-fluorophenyl)acetyl]-4-oxo-4-(4-phenylphenyl)butanehydrazide
CID 9161711

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone?
The IUPAC name of 2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone (CID 102580971) is 2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone is O=C(Cc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccccc1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone?
The InChIKey is KLLKZNKJJRYZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FO2/c22-19-12-10-18(11-13-19)21(24)17-8-6-15(7-9-17)14-20(23)16-4-2-1-3-5-16/h1-13H,14H2.
What are the key properties of 2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone?
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone has a molecular weight of 318.35 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone is sourced from PubChem (CID 102580971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).