3,4-bis(4-acetylphenyl)benzaldehyde

C23H18O3 — CID 134838904

IUPAC3,4-bis(4-acetylphenyl)benzaldehyde
SMILESCC(=O)c1ccc(-c2ccc(C=O)cc2-c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C23H18O3/c1-15(25)18-4-8-20(9-5-18)22-12-3-17(14-24)13-23(22)21-10-6-19(7-11-21)16(2)26/h3-14H,1-2H3
InChIKeyZLHLGHXYMGFWRP-UHFFFAOYSA-N
MW342.39 g/mol
LogP5.24
Rot. Bonds5

About 3,4-bis(4-acetylphenyl)benzaldehyde

3,4-bis(4-acetylphenyl)benzaldehyde (PubChem CID 134838904) has the molecular formula C23H18O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is 3,4-bis(4-acetylphenyl)benzaldehyde.

Molecular Properties

Compound Name3,4-bis(4-acetylphenyl)benzaldehyde
PubChem CID134838904
Molecular FormulaC23H18O3
Molecular Weight342.39 g/mol
Exact Mass342.13
IUPAC Name3,4-bis(4-acetylphenyl)benzaldehyde
SMILESCC(=O)c1ccc(-c2ccc(C=O)cc2-c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C23H18O3/c1-15(25)18-4-8-20(9-5-18)22-12-3-17(14-24)13-23(22)21-10-6-19(7-11-21)16(2)26/h3-14H,1-2H3
InChIKeyZLHLGHXYMGFWRP-UHFFFAOYSA-N
XLogP5.24
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.39
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-acetylphenyl)benzaldehyde?
The IUPAC name of 3,4-bis(4-acetylphenyl)benzaldehyde (CID 134838904) is 3,4-bis(4-acetylphenyl)benzaldehyde.
What is the SMILES notation for 3,4-bis(4-acetylphenyl)benzaldehyde?
The canonical SMILES for 3,4-bis(4-acetylphenyl)benzaldehyde is CC(=O)c1ccc(-c2ccc(C=O)cc2-c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 3,4-bis(4-acetylphenyl)benzaldehyde?
The InChIKey is ZLHLGHXYMGFWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O3/c1-15(25)18-4-8-20(9-5-18)22-12-3-17(14-24)13-23(22)21-10-6-19(7-11-21)16(2)26/h3-14H,1-2H3.
What are the key properties of 3,4-bis(4-acetylphenyl)benzaldehyde?
3,4-bis(4-acetylphenyl)benzaldehyde has a molecular weight of 342.39 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-acetylphenyl)benzaldehyde is sourced from PubChem (CID 134838904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).