4-bromo-2-(2-phenylphenyl)benzaldehyde

C19H13BrO — CID 175223605

IUPAC4-bromo-2-(2-phenylphenyl)benzaldehyde
SMILESO=Cc1ccc(Br)cc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C19H13BrO/c20-16-11-10-15(13-21)19(12-16)18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13H
InChIKeyMPMKXNXYSLGQFN-UHFFFAOYSA-N
MW337.22 g/mol
LogP5.60
Rot. Bonds3

About 4-bromo-2-(2-phenylphenyl)benzaldehyde

4-bromo-2-(2-phenylphenyl)benzaldehyde (PubChem CID 175223605) has the molecular formula C19H13BrO and a molecular weight of 337.22 g/mol. Its IUPAC name is 4-bromo-2-(2-phenylphenyl)benzaldehyde.

Molecular Properties

Compound Name4-bromo-2-(2-phenylphenyl)benzaldehyde
PubChem CID175223605
Molecular FormulaC19H13BrO
Molecular Weight337.22 g/mol
Exact Mass336.01
IUPAC Name4-bromo-2-(2-phenylphenyl)benzaldehyde
SMILESO=Cc1ccc(Br)cc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C19H13BrO/c20-16-11-10-15(13-21)19(12-16)18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13H
InChIKeyMPMKXNXYSLGQFN-UHFFFAOYSA-N
XLogP5.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.22
LogP ≤ 55.60
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-bromo-2-(2-phenylphenyl)benzaldehyde?
The IUPAC name of 4-bromo-2-(2-phenylphenyl)benzaldehyde (CID 175223605) is 4-bromo-2-(2-phenylphenyl)benzaldehyde.
What is the SMILES notation for 4-bromo-2-(2-phenylphenyl)benzaldehyde?
The canonical SMILES for 4-bromo-2-(2-phenylphenyl)benzaldehyde is O=Cc1ccc(Br)cc1-c1ccccc1-c1ccccc1.
What is the InChIKey of 4-bromo-2-(2-phenylphenyl)benzaldehyde?
The InChIKey is MPMKXNXYSLGQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrO/c20-16-11-10-15(13-21)19(12-16)18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13H.
What are the key properties of 4-bromo-2-(2-phenylphenyl)benzaldehyde?
4-bromo-2-(2-phenylphenyl)benzaldehyde has a molecular weight of 337.22 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-phenylphenyl)benzaldehyde is sourced from PubChem (CID 175223605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).