4-[4-(4-iodophenyl)phenyl]benzaldehyde

C19H13IO — CID 58568967

IUPAC4-[4-(4-iodophenyl)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(-c3ccc(I)cc3)cc2)cc1
InChIInChI=1S/C19H13IO/c20-19-11-9-18(10-12-19)17-7-5-16(6-8-17)15-3-1-14(13-21)2-4-15/h1-13H
InChIKeyDNAPJJIDGKEKBA-UHFFFAOYSA-N
MW384.22 g/mol
LogP5.44
Rot. Bonds3

About 4-[4-(4-iodophenyl)phenyl]benzaldehyde

4-[4-(4-iodophenyl)phenyl]benzaldehyde (PubChem CID 58568967) has the molecular formula C19H13IO and a molecular weight of 384.22 g/mol. Its IUPAC name is 4-[4-(4-iodophenyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name4-[4-(4-iodophenyl)phenyl]benzaldehyde
PubChem CID58568967
Molecular FormulaC19H13IO
Molecular Weight384.22 g/mol
Exact Mass384.00
IUPAC Name4-[4-(4-iodophenyl)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(-c3ccc(I)cc3)cc2)cc1
InChIInChI=1S/C19H13IO/c20-19-11-9-18(10-12-19)17-7-5-16(6-8-17)15-3-1-14(13-21)2-4-15/h1-13H
InChIKeyDNAPJJIDGKEKBA-UHFFFAOYSA-N
XLogP5.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.22
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-iodophenyl)phenyl]benzaldehyde?
The IUPAC name of 4-[4-(4-iodophenyl)phenyl]benzaldehyde (CID 58568967) is 4-[4-(4-iodophenyl)phenyl]benzaldehyde.
What is the SMILES notation for 4-[4-(4-iodophenyl)phenyl]benzaldehyde?
The canonical SMILES for 4-[4-(4-iodophenyl)phenyl]benzaldehyde is O=Cc1ccc(-c2ccc(-c3ccc(I)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(4-iodophenyl)phenyl]benzaldehyde?
The InChIKey is DNAPJJIDGKEKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13IO/c20-19-11-9-18(10-12-19)17-7-5-16(6-8-17)15-3-1-14(13-21)2-4-15/h1-13H.
What are the key properties of 4-[4-(4-iodophenyl)phenyl]benzaldehyde?
4-[4-(4-iodophenyl)phenyl]benzaldehyde has a molecular weight of 384.22 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-iodophenyl)phenyl]benzaldehyde is sourced from PubChem (CID 58568967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).