4-[2,4-dibromo-5-(4-formylphenyl)phenyl]benzaldehyde

C20H12Br2O2 — CID 89059488

IUPAC4-[2,4-dibromo-5-(4-formylphenyl)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2cc(-c3ccc(C=O)cc3)c(Br)cc2Br)cc1
InChIInChI=1S/C20H12Br2O2/c21-19-10-20(22)18(16-7-3-14(12-24)4-8-16)9-17(19)15-5-1-13(11-23)2-6-15/h1-12H
InChIKeyYUMSZQGCHSKGEO-UHFFFAOYSA-N
MW444.12 g/mol
LogP6.17
Rot. Bonds4

About 4-[2,4-dibromo-5-(4-formylphenyl)phenyl]benzaldehyde

4-[2,4-dibromo-5-(4-formylphenyl)phenyl]benzaldehyde (PubChem CID 89059488) has the molecular formula C20H12Br2O2 and a molecular weight of 444.12 g/mol. Its IUPAC name is 4-[2,4-dibromo-5-(4-formylphenyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name4-[2,4-dibromo-5-(4-formylphenyl)phenyl]benzaldehyde
PubChem CID89059488
Molecular FormulaC20H12Br2O2
Molecular Weight444.12 g/mol
Exact Mass441.92
IUPAC Name4-[2,4-dibromo-5-(4-formylphenyl)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2cc(-c3ccc(C=O)cc3)c(Br)cc2Br)cc1
InChIInChI=1S/C20H12Br2O2/c21-19-10-20(22)18(16-7-3-14(12-24)4-8-16)9-17(19)15-5-1-13(11-23)2-6-15/h1-12H
InChIKeyYUMSZQGCHSKGEO-UHFFFAOYSA-N
XLogP6.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.12
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2,4-dibromo-5-(4-formylphenyl)phenyl]benzaldehyde?
The IUPAC name of 4-[2,4-dibromo-5-(4-formylphenyl)phenyl]benzaldehyde (CID 89059488) is 4-[2,4-dibromo-5-(4-formylphenyl)phenyl]benzaldehyde.
What is the SMILES notation for 4-[2,4-dibromo-5-(4-formylphenyl)phenyl]benzaldehyde?
The canonical SMILES for 4-[2,4-dibromo-5-(4-formylphenyl)phenyl]benzaldehyde is O=Cc1ccc(-c2cc(-c3ccc(C=O)cc3)c(Br)cc2Br)cc1.
What is the InChIKey of 4-[2,4-dibromo-5-(4-formylphenyl)phenyl]benzaldehyde?
The InChIKey is YUMSZQGCHSKGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Br2O2/c21-19-10-20(22)18(16-7-3-14(12-24)4-8-16)9-17(19)15-5-1-13(11-23)2-6-15/h1-12H.
What are the key properties of 4-[2,4-dibromo-5-(4-formylphenyl)phenyl]benzaldehyde?
4-[2,4-dibromo-5-(4-formylphenyl)phenyl]benzaldehyde has a molecular weight of 444.12 g/mol, XLogP of 6.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-dibromo-5-(4-formylphenyl)phenyl]benzaldehyde is sourced from PubChem (CID 89059488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).