5-chloro-2-(2,4-dimethylphenyl)benzaldehyde

C15H13ClO — CID 66161659

IUPAC5-chloro-2-(2,4-dimethylphenyl)benzaldehyde
SMILESCc1ccc(-c2ccc(Cl)cc2C=O)c(C)c1
InChIInChI=1S/C15H13ClO/c1-10-3-5-14(11(2)7-10)15-6-4-13(16)8-12(15)9-17/h3-9H,1-2H3
InChIKeyKPJVFUNIYQJJNZ-UHFFFAOYSA-N
MW244.72 g/mol
LogP4.44
Rot. Bonds2

About 5-chloro-2-(2,4-dimethylphenyl)benzaldehyde

5-chloro-2-(2,4-dimethylphenyl)benzaldehyde (PubChem CID 66161659) has the molecular formula C15H13ClO and a molecular weight of 244.72 g/mol. Its IUPAC name is 5-chloro-2-(2,4-dimethylphenyl)benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-(2,4-dimethylphenyl)benzaldehyde
PubChem CID66161659
Molecular FormulaC15H13ClO
Molecular Weight244.72 g/mol
Exact Mass244.07
IUPAC Name5-chloro-2-(2,4-dimethylphenyl)benzaldehyde
SMILESCc1ccc(-c2ccc(Cl)cc2C=O)c(C)c1
InChIInChI=1S/C15H13ClO/c1-10-3-5-14(11(2)7-10)15-6-4-13(16)8-12(15)9-17/h3-9H,1-2H3
InChIKeyKPJVFUNIYQJJNZ-UHFFFAOYSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 54.44
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 5-chloro-2-(2,4-dimethylphenyl)benzaldehyde?
The IUPAC name of 5-chloro-2-(2,4-dimethylphenyl)benzaldehyde (CID 66161659) is 5-chloro-2-(2,4-dimethylphenyl)benzaldehyde.
What is the SMILES notation for 5-chloro-2-(2,4-dimethylphenyl)benzaldehyde?
The canonical SMILES for 5-chloro-2-(2,4-dimethylphenyl)benzaldehyde is Cc1ccc(-c2ccc(Cl)cc2C=O)c(C)c1.
What is the InChIKey of 5-chloro-2-(2,4-dimethylphenyl)benzaldehyde?
The InChIKey is KPJVFUNIYQJJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO/c1-10-3-5-14(11(2)7-10)15-6-4-13(16)8-12(15)9-17/h3-9H,1-2H3.
What are the key properties of 5-chloro-2-(2,4-dimethylphenyl)benzaldehyde?
5-chloro-2-(2,4-dimethylphenyl)benzaldehyde has a molecular weight of 244.72 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,4-dimethylphenyl)benzaldehyde is sourced from PubChem (CID 66161659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).