2-chloro-3-(3,5-dichlorophenyl)propanal

C9H7Cl3O — CID 62395185

IUPAC2-chloro-3-(3,5-dichlorophenyl)propanal
SMILESO=CC(Cl)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H7Cl3O/c10-7-1-6(2-8(11)4-7)3-9(12)5-13/h1-2,4-5,9H,3H2
InChIKeyYUHHLSPAHLBQBD-UHFFFAOYSA-N
MW237.51 g/mol
LogP3.34
Rot. Bonds3

About 2-chloro-3-(3,5-dichlorophenyl)propanal

2-chloro-3-(3,5-dichlorophenyl)propanal (PubChem CID 62395185) has the molecular formula C9H7Cl3O and a molecular weight of 237.51 g/mol. Its IUPAC name is 2-chloro-3-(3,5-dichlorophenyl)propanal.

Molecular Properties

Compound Name2-chloro-3-(3,5-dichlorophenyl)propanal
PubChem CID62395185
Molecular FormulaC9H7Cl3O
Molecular Weight237.51 g/mol
Exact Mass235.96
IUPAC Name2-chloro-3-(3,5-dichlorophenyl)propanal
SMILESO=CC(Cl)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H7Cl3O/c10-7-1-6(2-8(11)4-7)3-9(12)5-13/h1-2,4-5,9H,3H2
InChIKeyYUHHLSPAHLBQBD-UHFFFAOYSA-N
XLogP3.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.51
LogP ≤ 53.34
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-3-(3,5-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

Related Compounds

2-chloro-3-pyrimidin-5-ylpropanal
CID 107590069
3-(4-bromophenyl)-2-chloropropanal
CID 62394635
1,3-dichloro-5-(2-methylbut-3-enyl)benzene
CID 83924853
(2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid
CID 95001565
2-amino-3-(3,5-dichlorophenyl)propanoic acid;hydrochloride
CID 11380226
1-(3,5-dichlorophenyl)butan-2-ol
CID 71163653
1,3-dichloro-5-[[(3,5-dichlorophenyl)methyldisulfanyl]methyl]benzene
CID 71341722
2-chloro-3-(2,6-dibromo-4-methylphenyl)propanal
CID 62393738
5-(3,5-dichlorophenyl)-4-methylpentan-2-one
CID 83924807
2-bromo-1-(3,5-dichlorophenyl)pentan-3-one
CID 62395360
2-(3,5-dichlorophenyl)propanal
CID 54061579
2-[4-(3,5-dichlorophenyl)phenyl]acetic acid
CID 2758083

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(3,5-dichlorophenyl)propanal?
The IUPAC name of 2-chloro-3-(3,5-dichlorophenyl)propanal (CID 62395185) is 2-chloro-3-(3,5-dichlorophenyl)propanal.
What is the SMILES notation for 2-chloro-3-(3,5-dichlorophenyl)propanal?
The canonical SMILES for 2-chloro-3-(3,5-dichlorophenyl)propanal is O=CC(Cl)Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-chloro-3-(3,5-dichlorophenyl)propanal?
The InChIKey is YUHHLSPAHLBQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl3O/c10-7-1-6(2-8(11)4-7)3-9(12)5-13/h1-2,4-5,9H,3H2.
What are the key properties of 2-chloro-3-(3,5-dichlorophenyl)propanal?
2-chloro-3-(3,5-dichlorophenyl)propanal has a molecular weight of 237.51 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(3,5-dichlorophenyl)propanal is sourced from PubChem (CID 62395185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).