4-(2-chlorophenyl)benzaldehyde

C13H9ClO — CID 1394400

IUPAC4-(2-chlorophenyl)benzaldehyde
SMILESO=Cc1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C13H9ClO/c14-13-4-2-1-3-12(13)11-7-5-10(9-15)6-8-11/h1-9H
InChIKeyPGMYZSDMJRFWKS-UHFFFAOYSA-N
MW216.67 g/mol
LogP3.82
Rot. Bonds2

About 4-(2-chlorophenyl)benzaldehyde

4-(2-chlorophenyl)benzaldehyde (PubChem CID 1394400) has the molecular formula C13H9ClO and a molecular weight of 216.67 g/mol. Its IUPAC name is 4-(2-chlorophenyl)benzaldehyde.

Molecular Properties

Compound Name4-(2-chlorophenyl)benzaldehyde
PubChem CID1394400
Molecular FormulaC13H9ClO
Molecular Weight216.67 g/mol
Exact Mass216.03
IUPAC Name4-(2-chlorophenyl)benzaldehyde
SMILESO=Cc1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C13H9ClO/c14-13-4-2-1-3-12(13)11-7-5-10(9-15)6-8-11/h1-9H
InChIKeyPGMYZSDMJRFWKS-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 53.82
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-(2-chlorophenyl)benzaldehyde?
The IUPAC name of 4-(2-chlorophenyl)benzaldehyde (CID 1394400) is 4-(2-chlorophenyl)benzaldehyde.
What is the SMILES notation for 4-(2-chlorophenyl)benzaldehyde?
The canonical SMILES for 4-(2-chlorophenyl)benzaldehyde is O=Cc1ccc(-c2ccccc2Cl)cc1.
What is the InChIKey of 4-(2-chlorophenyl)benzaldehyde?
The InChIKey is PGMYZSDMJRFWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO/c14-13-4-2-1-3-12(13)11-7-5-10(9-15)6-8-11/h1-9H.
What are the key properties of 4-(2-chlorophenyl)benzaldehyde?
4-(2-chlorophenyl)benzaldehyde has a molecular weight of 216.67 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)benzaldehyde is sourced from PubChem (CID 1394400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).