2-(3-chlorophenyl)benzaldehyde

C13H9ClO — CID 1392515

IUPAC2-(3-chlorophenyl)benzaldehyde
SMILESO=Cc1ccccc1-c1cccc(Cl)c1
InChIInChI=1S/C13H9ClO/c14-12-6-3-5-10(8-12)13-7-2-1-4-11(13)9-15/h1-9H
InChIKeyQPYBBMYVPFPRHE-UHFFFAOYSA-N
MW216.67 g/mol
LogP3.82
Rot. Bonds2

About 2-(3-chlorophenyl)benzaldehyde

2-(3-chlorophenyl)benzaldehyde (PubChem CID 1392515) has the molecular formula C13H9ClO and a molecular weight of 216.67 g/mol. Its IUPAC name is 2-(3-chlorophenyl)benzaldehyde.

Molecular Properties

Compound Name2-(3-chlorophenyl)benzaldehyde
PubChem CID1392515
Molecular FormulaC13H9ClO
Molecular Weight216.67 g/mol
Exact Mass216.03
IUPAC Name2-(3-chlorophenyl)benzaldehyde
SMILESO=Cc1ccccc1-c1cccc(Cl)c1
InChIInChI=1S/C13H9ClO/c14-12-6-3-5-10(8-12)13-7-2-1-4-11(13)9-15/h1-9H
InChIKeyQPYBBMYVPFPRHE-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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Related Compounds

4-Chlorobenzophenone
CID 8653
4,4'-Dichlorobenzophenone
CID 7034
3-Chlorobenzaldehyde
CID 11477
Methanone, (2-chlorophenyl)phenyl-
CID 78838
4-Chlorochalcone
CID 5377022
(2E)-3-(3-Chlorophenyl)-1-phenyl-2-propen-1-one
CID 5377023
1-(4-Chlorophenyl)-2-phenyl-1,2-ethanedione
CID 89801
trans-2-Chlorochalcone
CID 5388549
(1,1'-Biphenyl)-2,2'-dicarboxaldehyde
CID 14585
(1,1'-Biphenyl)-2-carboxaldehyde
CID 121052
3'-Chlorochalcone
CID 639084
3'-Chloropropiophenone
CID 587128

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)benzaldehyde?
The IUPAC name of 2-(3-chlorophenyl)benzaldehyde (CID 1392515) is 2-(3-chlorophenyl)benzaldehyde.
What is the SMILES notation for 2-(3-chlorophenyl)benzaldehyde?
The canonical SMILES for 2-(3-chlorophenyl)benzaldehyde is O=Cc1ccccc1-c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)benzaldehyde?
The InChIKey is QPYBBMYVPFPRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO/c14-12-6-3-5-10(8-12)13-7-2-1-4-11(13)9-15/h1-9H.
What are the key properties of 2-(3-chlorophenyl)benzaldehyde?
2-(3-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 2-(3-chlorophenyl)benzaldehyde is sourced from PubChem (CID 1392515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).