4-(4-benzoylphenyl)-1-phenylbutan-1-one

C23H20O2 — CID 15737707

IUPAC4-(4-benzoylphenyl)-1-phenylbutan-1-one
SMILESO=C(CCCc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H20O2/c24-22(19-9-3-1-4-10-19)13-7-8-18-14-16-21(17-15-18)23(25)20-11-5-2-6-12-20/h1-6,9-12,14-17H,7-8,13H2
InChIKeyPSLCWRSLQRWEOV-UHFFFAOYSA-N
MW328.41 g/mol
LogP5.12
Rot. Bonds7

About 4-(4-benzoylphenyl)-1-phenylbutan-1-one

4-(4-benzoylphenyl)-1-phenylbutan-1-one (PubChem CID 15737707) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-(4-benzoylphenyl)-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-(4-benzoylphenyl)-1-phenylbutan-1-one
PubChem CID15737707
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Name4-(4-benzoylphenyl)-1-phenylbutan-1-one
SMILESO=C(CCCc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H20O2/c24-22(19-9-3-1-4-10-19)13-7-8-18-14-16-21(17-15-18)23(25)20-11-5-2-6-12-20/h1-6,9-12,14-17H,7-8,13H2
InChIKeyPSLCWRSLQRWEOV-UHFFFAOYSA-N
XLogP5.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-(4-benzamidophenyl)pentanoyl]-N-[4-(4-oxo-4-phenylbutyl)phenyl]benzamide
CID 123843128
4-(4-phenylbutanoyl)benzaldehyde
CID 19754534
1,15-diphenylpentadecane-1,15-dione
CID 159981687
N-phenyl-4-(4-phenylbutanoyl)benzamide
CID 123756436
1,7-bis(4-phenoxyphenyl)heptan-1-one
CID 130400108
[4-(2-aminoethyl)phenyl]-phenylmethanone
CID 14368635
1,2-diphenylethanone;diphenylmethanone
CID 141067729
5-(4-benzoylphenyl)pentanenitrile
CID 46197508
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
1-(3-methylphenyl)-4-phenylbutan-1-one
CID 54171094
diphenylmethanone;gold
CID 174931146
2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-phenylethanone
CID 151688596

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzoylphenyl)-1-phenylbutan-1-one?
The IUPAC name of 4-(4-benzoylphenyl)-1-phenylbutan-1-one (CID 15737707) is 4-(4-benzoylphenyl)-1-phenylbutan-1-one.
What is the SMILES notation for 4-(4-benzoylphenyl)-1-phenylbutan-1-one?
The canonical SMILES for 4-(4-benzoylphenyl)-1-phenylbutan-1-one is O=C(CCCc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 4-(4-benzoylphenyl)-1-phenylbutan-1-one?
The InChIKey is PSLCWRSLQRWEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2/c24-22(19-9-3-1-4-10-19)13-7-8-18-14-16-21(17-15-18)23(25)20-11-5-2-6-12-20/h1-6,9-12,14-17H,7-8,13H2.
What are the key properties of 4-(4-benzoylphenyl)-1-phenylbutan-1-one?
4-(4-benzoylphenyl)-1-phenylbutan-1-one has a molecular weight of 328.41 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzoylphenyl)-1-phenylbutan-1-one is sourced from PubChem (CID 15737707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).