3-(4-chlorophenyl)benzaldehyde

C13H9ClO — CID 1394238

IUPAC3-(4-chlorophenyl)benzaldehyde
SMILESO=Cc1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C13H9ClO/c14-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-9H
InChIKeyJIBHWLKAALCSRU-UHFFFAOYSA-N
MW216.67 g/mol
LogP3.82
Rot. Bonds2

About 3-(4-chlorophenyl)benzaldehyde

3-(4-chlorophenyl)benzaldehyde (PubChem CID 1394238) has the molecular formula C13H9ClO and a molecular weight of 216.67 g/mol. Its IUPAC name is 3-(4-chlorophenyl)benzaldehyde.

Molecular Properties

Compound Name3-(4-chlorophenyl)benzaldehyde
PubChem CID1394238
Molecular FormulaC13H9ClO
Molecular Weight216.67 g/mol
Exact Mass216.03
IUPAC Name3-(4-chlorophenyl)benzaldehyde
SMILESO=Cc1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C13H9ClO/c14-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-9H
InChIKeyJIBHWLKAALCSRU-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 3-(4-chlorophenyl)benzaldehyde?
The IUPAC name of 3-(4-chlorophenyl)benzaldehyde (CID 1394238) is 3-(4-chlorophenyl)benzaldehyde.
What is the SMILES notation for 3-(4-chlorophenyl)benzaldehyde?
The canonical SMILES for 3-(4-chlorophenyl)benzaldehyde is O=Cc1cccc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chlorophenyl)benzaldehyde?
The InChIKey is JIBHWLKAALCSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO/c14-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-9H.
What are the key properties of 3-(4-chlorophenyl)benzaldehyde?
3-(4-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 3-(4-chlorophenyl)benzaldehyde is sourced from PubChem (CID 1394238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).