1-(3,4-dibenzoylphenyl)ethanone

C22H16O3 — CID 122398532

IUPAC1-(3,4-dibenzoylphenyl)ethanone
SMILESCC(=O)c1ccc(C(=O)c2ccccc2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C22H16O3/c1-15(23)18-12-13-19(21(24)16-8-4-2-5-9-16)20(14-18)22(25)17-10-6-3-7-11-17/h2-14H,1H3
InChIKeyFHARTXBTKALZOV-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.35
Rot. Bonds5

About 1-(3,4-dibenzoylphenyl)ethanone

1-(3,4-dibenzoylphenyl)ethanone (PubChem CID 122398532) has the molecular formula C22H16O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-(3,4-dibenzoylphenyl)ethanone.

Molecular Properties

Compound Name1-(3,4-dibenzoylphenyl)ethanone
PubChem CID122398532
Molecular FormulaC22H16O3
Molecular Weight328.37 g/mol
Exact Mass328.11
IUPAC Name1-(3,4-dibenzoylphenyl)ethanone
SMILESCC(=O)c1ccc(C(=O)c2ccccc2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C22H16O3/c1-15(23)18-12-13-19(21(24)16-8-4-2-5-9-16)20(14-18)22(25)17-10-6-3-7-11-17/h2-14H,1H3
InChIKeyFHARTXBTKALZOV-UHFFFAOYSA-N
XLogP4.35
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dibenzoylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-acetylbenzoyl)phthalic acid
CID 71123619
1-(2-benzoylphenyl)ethanone;molecular nitrogen
CID 174779565
(2-benzoyl-4-fluorophenyl)-(4-fluorophenyl)methanone
CID 139633468
1-(4-benzoylnaphthalen-2-yl)ethanone
CID 11311862
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
acetic acid;1-phenylethanone
CID 159392478
potassium 1-phenylethanone
CID 19980201
iron;1-phenylethanone
CID 70488357
lithium 1-phenylethanone
CID 22269591
1-[2-benzoyl-5-(diethylamino)phenyl]ethanone
CID 151104618

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dibenzoylphenyl)ethanone?
The IUPAC name of 1-(3,4-dibenzoylphenyl)ethanone (CID 122398532) is 1-(3,4-dibenzoylphenyl)ethanone.
What is the SMILES notation for 1-(3,4-dibenzoylphenyl)ethanone?
The canonical SMILES for 1-(3,4-dibenzoylphenyl)ethanone is CC(=O)c1ccc(C(=O)c2ccccc2)c(C(=O)c2ccccc2)c1.
What is the InChIKey of 1-(3,4-dibenzoylphenyl)ethanone?
The InChIKey is FHARTXBTKALZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O3/c1-15(23)18-12-13-19(21(24)16-8-4-2-5-9-16)20(14-18)22(25)17-10-6-3-7-11-17/h2-14H,1H3.
What are the key properties of 1-(3,4-dibenzoylphenyl)ethanone?
1-(3,4-dibenzoylphenyl)ethanone has a molecular weight of 328.37 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dibenzoylphenyl)ethanone is sourced from PubChem (CID 122398532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).