2-chloro-2-(2,4-dichlorophenyl)propanal

C9H7Cl3O — CID 20571053

IUPAC2-chloro-2-(2,4-dichlorophenyl)propanal
SMILESCC(Cl)(C=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H7Cl3O/c1-9(12,5-13)7-3-2-6(10)4-8(7)11/h2-5H,1H3
InChIKeyQZLPTNUOBVFWMV-UHFFFAOYSA-N
MW237.51 g/mol
LogP3.65
Rot. Bonds2

About 2-chloro-2-(2,4-dichlorophenyl)propanal

2-chloro-2-(2,4-dichlorophenyl)propanal (PubChem CID 20571053) has the molecular formula C9H7Cl3O and a molecular weight of 237.51 g/mol. Its IUPAC name is 2-chloro-2-(2,4-dichlorophenyl)propanal.

Molecular Properties

Compound Name2-chloro-2-(2,4-dichlorophenyl)propanal
PubChem CID20571053
Molecular FormulaC9H7Cl3O
Molecular Weight237.51 g/mol
Exact Mass235.96
IUPAC Name2-chloro-2-(2,4-dichlorophenyl)propanal
SMILESCC(Cl)(C=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H7Cl3O/c1-9(12,5-13)7-3-2-6(10)4-8(7)11/h2-5H,1H3
InChIKeyQZLPTNUOBVFWMV-UHFFFAOYSA-N
XLogP3.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.51
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-2-(2,4-dichlorophenyl)propanal 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 2-chloro-2-(2,4-dichlorophenyl)propanal?
The IUPAC name of 2-chloro-2-(2,4-dichlorophenyl)propanal (CID 20571053) is 2-chloro-2-(2,4-dichlorophenyl)propanal.
What is the SMILES notation for 2-chloro-2-(2,4-dichlorophenyl)propanal?
The canonical SMILES for 2-chloro-2-(2,4-dichlorophenyl)propanal is CC(Cl)(C=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-chloro-2-(2,4-dichlorophenyl)propanal?
The InChIKey is QZLPTNUOBVFWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl3O/c1-9(12,5-13)7-3-2-6(10)4-8(7)11/h2-5H,1H3.
What are the key properties of 2-chloro-2-(2,4-dichlorophenyl)propanal?
2-chloro-2-(2,4-dichlorophenyl)propanal has a molecular weight of 237.51 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2,4-dichlorophenyl)propanal is sourced from PubChem (CID 20571053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).