4-(4-bromophenyl)benzaldehyde

C13H9BrO — CID 1392819

IUPAC4-(4-bromophenyl)benzaldehyde
SMILESO=Cc1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H9BrO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-9H
InChIKeyAZDGDDGUHUQQMO-UHFFFAOYSA-N
MW261.12 g/mol
LogP3.93
Rot. Bonds2

About 4-(4-bromophenyl)benzaldehyde

4-(4-bromophenyl)benzaldehyde (PubChem CID 1392819) has the molecular formula C13H9BrO and a molecular weight of 261.12 g/mol. Its IUPAC name is 4-(4-bromophenyl)benzaldehyde.

Molecular Properties

Compound Name4-(4-bromophenyl)benzaldehyde
PubChem CID1392819
Molecular FormulaC13H9BrO
Molecular Weight261.12 g/mol
Exact Mass259.98
IUPAC Name4-(4-bromophenyl)benzaldehyde
SMILESO=Cc1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H9BrO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-9H
InChIKeyAZDGDDGUHUQQMO-UHFFFAOYSA-N
XLogP3.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(4-bromophenyl)benzaldehyde?
The IUPAC name of 4-(4-bromophenyl)benzaldehyde (CID 1392819) is 4-(4-bromophenyl)benzaldehyde.
What is the SMILES notation for 4-(4-bromophenyl)benzaldehyde?
The canonical SMILES for 4-(4-bromophenyl)benzaldehyde is O=Cc1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)benzaldehyde?
The InChIKey is AZDGDDGUHUQQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-9H.
What are the key properties of 4-(4-bromophenyl)benzaldehyde?
4-(4-bromophenyl)benzaldehyde has a molecular weight of 261.12 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)benzaldehyde is sourced from PubChem (CID 1392819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).