4-(4-chlorophenoxy)benzaldehyde

C13H9ClO2 — CID 3851764

IUPAC4-(4-chlorophenoxy)benzaldehyde
SMILESO=Cc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H9ClO2/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-9H
InChIKeyBLCXBCYVCDPFEU-UHFFFAOYSA-N
MW232.67 g/mol
LogP3.94
Rot. Bonds3

About 4-(4-chlorophenoxy)benzaldehyde

4-(4-chlorophenoxy)benzaldehyde (PubChem CID 3851764) has the molecular formula C13H9ClO2 and a molecular weight of 232.67 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)benzaldehyde.

Molecular Properties

Compound Name4-(4-chlorophenoxy)benzaldehyde
PubChem CID3851764
Molecular FormulaC13H9ClO2
Molecular Weight232.67 g/mol
Exact Mass232.03
IUPAC Name4-(4-chlorophenoxy)benzaldehyde
SMILESO=Cc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H9ClO2/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-9H
InChIKeyBLCXBCYVCDPFEU-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-chlorophenoxy)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)benzaldehyde?
The IUPAC name of 4-(4-chlorophenoxy)benzaldehyde (CID 3851764) is 4-(4-chlorophenoxy)benzaldehyde.
What is the SMILES notation for 4-(4-chlorophenoxy)benzaldehyde?
The canonical SMILES for 4-(4-chlorophenoxy)benzaldehyde is O=Cc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)benzaldehyde?
The InChIKey is BLCXBCYVCDPFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO2/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-9H.
What are the key properties of 4-(4-chlorophenoxy)benzaldehyde?
4-(4-chlorophenoxy)benzaldehyde has a molecular weight of 232.67 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)benzaldehyde is sourced from PubChem (CID 3851764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).